Lincoln Repository

Items where Subject is "F320 Chemical Physics"

JACS Subject (71)
- F Physical Sciences (71)
  - F320 Chemical Physics (71)

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110 direction AB diblock copolymers AFM AFM tip Ab initio Ab initio and DFT calculations Ab initio structural calculations Adenine molecules Annealing Anticancer agents Antimicrobial peptide Atomic force microscopy Atomistic structure Au (1 1 1) Au(1 1 1 ) Au(111) surface Au(111) surfaces Bimetallic nano-particle fuel cell; Bisphenol A Polycarbonate Body-centered cubic Bonding distance Brick wall Brownian Dynamics Building blockes CV Carbon nanotube bundles Cell culture Cell dynamics Chemical Physics Chemical physics Coarse-grained molecular models Combustion Computational technique Computer simulation Correlation function Cryptophane Crystal defects Crystalline Solids Cyclic voltammetry (CV) Cylinders (shapes) Cylindrical Pores Cylindrical domain Cylindrical nanopores DFT + U DFT + U + V DNA Deformation and plasticity Density Functional Theory Density functional theory Density functional theory (DFT) calculations Density functional theory calculations Density-functional calculations Diblock copolymer Diblock copolymer melts Disordered structures Dna base Domain walls Drug molecules Dynamic atomic force microscopy Dynamic critical exponents EXAFS Electric field effects Electrochemical Electron energy levels Ellipsoids Extended X-ray adsorption fine structure External electric field Fast simulation methods Filaments (lamp) First passage time Flow interactions Forming Free energy Free energy barrier Fuel Cell Gas Phase Gas-phase analysis Genes Ginzburg-Landau Glass transition Gold Gold surfaces H-bonding High stability Hydrogen Hydrogen Bonding Hydrogen bonds Hyperpolarisation Hyperthermal Collision Insulating surfaces JCNotOpen JCOpen Kinetic pathway Large scale systems Lattice parameters Liquids Long-range ordering Macromolecules Magnetic domains Materials modelling Mean field theory Mechanochemistry Mediate structural transitions Melamine formaldehyde resins Melamine structures Metal surfaces Metastable structures, Block copolymers Micellar Microdomains Microphase separation Microscopic examination Minkowski functionals, Block copolymers Mixtures Molecular Dynamics Simulation Molecular Imaging Molecular dynamics Molecular dynamics simulations Molecular modeling Molecular orbitals, Electric fields Molecular self assembly Molecules Monolayer structures Monolayers Monte Carlo Simulation Monte Carlo methods Multicomponents Nano-architecture Nanocages Nanocarrier Nanoparticle Nanopores Nanoprobes, Computer simulation, silane derivative Nanoscience Nanowire Nonsymmetric NotOAChecked Nucleic acids Order disorder transitions Order-order transitions Ordered arrangements Ordered structures Organic acids Orthogonal fields, Block copolymers PRP Parallel Computation Particles Perturbations Perylene-3 ,4 ,9 ,10-tetracarboxylic dianhydride Phase separation Phase transition kinetics Phonons Piezoelectric actuators Planar structures Pluronic micelles Polymer dynamics Polymer glass Polymer glasses Polymer melts Polymeric amphiphiles Polymers Polystyrenes Polystyrenes, Alumina nanopores Poration Probability density function Protein domain motion Pt/Y zeolite electrocatalyst Pt–Fe/Y zeolite; Real-space Reptation SPR STM images Scanning Probe Microscope Scanning Tunneling Microscopy (stm) Scanning tunneling microscopy Scanning tunneling microscopy (STM) Scanning tunneling microscopy, Atomistic modelling Self assembly Self consistent field theory Self-assembly Self-consistent field theory Shear flow Short-range forces Silanes Small clusters Sodium chloride Solutions Statistical Mechanics Strain hardening Stress analysis Structural motifs Supramolecular assemblies, Functional polymers Supramolecular chemistry Supramolecular networks Surface Properties Surface interaction energies Surphace coating Systematic methods Systems engineering, Block copolymers T junctions Thermal effects, Cell dynamics Thermodynamics Thin films Three dimensional, Lamellar Three orders of magnitude Transient state, Block copolymers Transition region, Imaging techniques Two dimensional, Stereochemistry Two dimensions, Two dimensional, dimer Two-dimensional system Type theory, Copolymerization Ultrahigh vacuum scanning tunneling microscopies Ultrahigh vacuum, Ab initio Ultrahigh vacuum, Density functional theory Unit cells, Density functional theory Vacuum conditions, Vacuum, cytosine Van der Waals forces, Ab initio Water Water chemistry Water density, Atomic force microscopy Xanthine Xenon absorbance adsorption alloys amphiphilic molecules antiferromagnetism article atomic force microscopy atomic scale atomistic simulations bilayer bimetallic surfaces biomembranes bmjgoldcheck bulk insulator calcite carbon nanotube catalysis cavity ring-down chemical interaction chemical structure chemistry classical molecular dynamics computational chemistry computer modeling concentrated solar power confined liquid covalent assembly density functional calculations density functional theory dimerization dynamic heterogeneity e-CRDS electrolytes electronic decoupling electrospray ion beam deposition energy transfer entropy equipment ethylene ferrimagnetism ferromagnetism fibre optic field theory flat organic molecules flat periodic patterns fluids under confinement force field free software fuel cell gas geometry glass cage gold gold nanoparticles gold nanosurfaces gold, article graphene hopping hydrogen bond insulating surfaces interactions interface structures intermediate filament ionic crystal kinetics magnetic anisotropy energy materials science mechanical properties melamine metal metal array metal nanoparticles metal/insulator interfaces molecular dynamics molecular electronics molten salts monolayer culture nanomaterials nanoparticle nanostructures nanotechnology naphthalene non-gaussian behaviour nudged elastic band on-surface synthesis on-surface synthesis on insulators optical sensor order?disorder transition perylene photocatalysis photodiodes physiology polyethylene (PE) polymer photodetectors polymers polystyrene priority journal protein quantum theory relaxation renewable energy self-assembly self-consistent field theory self-organization shift values silanol single molecule magnets solution and solubility strain hardening structure of liquids surface plasmon resonance surface property surface property, Cytosine surface property, Microscopy, Atomic Force tetramer, ab initio calculation theoretical study theory and experiment thermal energy storage thermodynamics, Microscopy, Atomic Force transition metals van der Waals (vdW) viscoelasticity water water, article wavelength-selectable photodetection work function shift yield stress

Number of items at this level: 453.

110 direction

Ly, D. Q., Pinna, Marco, Honda, T., Kawakatsu, T. and Zvelindovsky, Andrei (2013) Kinetic pathways of sphere-to-cylinder transition in diblock copolymer melt under electric field. Journal of Chemical Physics, 138 (7). ISSN 0021-9606

AB diblock copolymers

Griffiths, G. H., Vorselaars, B. and Matsen, M. W. (2011) Unit-cell approximation for diblock−copolymer brushes grafted to spherical particles. Macromolecules, 44 (9). pp. 3649-3655. ISSN 0024-9297

Vorselaars, Bart, Kim, Jaeup U., Chantawansri, Tanya L., Fredrickson, Glenn H. and Matsen, Mark W. (2011) Self-consistent field theory for diblock copolymers grafted to a sphere. Soft Matter, 7 (11). pp. 5128-5137. ISSN 1744-683X

AFM

Miyazawa, Keisuke, Kobayashi, Naritaka, Watkins, Matthew, Shluger, Alexander L., Amano, Ken-ichi and Fukuma, Takeshi (2016) A relationship between three-dimensional surface hydration structures and force distribution measured by atomic force microscopy. Nanoscale, 8 (13). pp. 7334-7342. ISSN 2040-3364

AFM tip

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Ab initio

Mura, M., Silly, F., Briggs, G. A. D., Castell, M. R. and Kantorovich, L. N. (2009) H-bonding supramolecular assemblies of PTCDI molecules on the Au(111) surface. Journal of Physical Chemistry C, 113 (52). pp. 21840-21848. ISSN 1932-7447

Ab initio and DFT calculations

Andreussi, Oliviero, Brumme, Thomas, Bunau, Oana, Buongiorno Nardelli, Marco, Calandra, Matteo, Car, Roberto, Cavazzoni, Carlo, Ceresoli, Davide, Cococcioni, Matteo, Colonna, Nicola, Carnimeo, Ivan, Dal Corso, Andrea, de Gironcoli, Stefano, Delugas, Pietro, DiStasio, Robert, Ferretti, Andrea, Floris, Andrea, Fratesi, Guido, Fugallo, Giorgia, Gebauer, Ralph, Gerstmann, Uwe, Giustino, Feliciano, Gorni, Tommaso, Jia, Junteng, Kawamura, Mitsuaki, Ko, Hsin-Yu, Kokalj, Anton, Küçükbenli, Emine, Lazzeri, Michele, Marsili, Margherita, Marzari, Nicola, Mauri, Francesco, Nguyen, Ngoc Linh, Nguyen, Huy-Viet, Otero-de-la-Roza, Alberto, Paulatto, Lorenzo, Poncé, Samuel, Giannozzi, Paolo, Rocca, Dario, Sabatini, Riccardo, Santra, Biswajit, Schlipf, Martin, Seitsonen, Ari Paavo, Smogunov, Alexander, Timrov, Iurii, Thonhauser, Timo, Umari, Paolo, Vast, Nathalie, Wu, Xifan and Baroni, Stefano (2017) Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter . ISSN 0953-8984

Ab initio structural calculations

Adenine molecules

Sun, Xiaonan, Mura, Manuela, Jonkman, Harry T., Kantorovich, Lev N. and Silly, Fabien (2012) Fabrication of a complex two-dimensional adenine-perylene-3,4,9,10- tetracarboxylic dianhydride chiral nanoarchitecture through molecular self-assembly. Journal of Physical Chemistry C, 116 (3). pp. 2493-2499. ISSN 1932-7447

Annealing

Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2009) Deforming glassy polystyrene: influence of pressure, thermal history, and deformation mode on yielding and hardening. The Journal of Chemical Physics, 130 (7). 074905. ISSN 0021-9606

Anticancer agents

De Nicola, Antonio, Hezaveh, Samira, Zhao, Ying, Kawakatsu, Toshihiro, Roccatano, Danilo and Milano, Giuseppe (2014) Micellar drug nanocarriers and biomembranes: how do they interact? Physical Chemistry Chemical Physics, 16 (11). pp. 5093-5105. ISSN 1463-9076

Antimicrobial peptide

Roccatano, Danilo (2020) The Molecular Dynamics Simulation of Peptides on Gold Nano-surfaces. In: Nanoparticles in Biology and Medicine. Springer Science+Business Media, LLC, pp. 177-197. ISBN 978-1-0716-0318-5

Atomic force microscopy

Atomistic structure

Au (1 1 1)

Silly, Fabien, Shaw, Adam Q., Castell, Martin R., Briggs, G. A. D., Mura, Manuela, Martsinovich, Natalia and Kantorovich, Lev (2008) Melamine structures on the Au(111) surface. Journal of Physical Chemistry C, 112 (30). pp. 11476-11480. ISSN 1932-7447

Au(1 1 1 )

Au(111) surface

Kelly, Ross E. A., Lukas, Maya, Kantorovich, Lev N., Otero, Roberto, Xu, Wei, Mura, Manuela, Laegsgaard, Erik, Stensgaard, Ivan and Besenbacher, Flemming (2008) Understanding the disorder of the DNA base cytosine on the Au(111) surface. Journal of Chemical Physics, 129 (18). p. 184707. ISSN 0021-9606

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

Au(111) surfaces

Bimetallic nano-particle fuel cell;

Yao, Jun and Yao, Yufeng (2015) Experimental study of characteristics of bimetallic Pt–Fe nano-particle fuel cell electrocatalyst. Renewable Energy, 81 . pp. 182-196. ISSN 0960-1481

Bisphenol A Polycarbonate

Lyulin, A. V., Vorselaars, B., Mazo, M. A., Balabaev, N. K. and Michels, M. A. J. (2005) Strain softening and hardening of amorphous polymers: atomistic simulation of bulk mechanics and local dynamics. Europhysics Letters (EPL), 71 (4). pp. 618-624. ISSN 0295-5075

Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2009) Microscopic mechanisms of strain hardening in glassy polymers. Macromolecules, 42 (15). pp. 5829-5842. ISSN 0024-9297

Body-centered cubic

Bonding distance

Yao, Jun and Yao, Yufeng (2015) Experimental study of characteristics of bimetallic Pt–Fe nano-particle fuel cell electrocatalyst. Renewable Energy, 81 . pp. 182-196. ISSN 0960-1481

Brick wall

Brownian Dynamics

Ramírez, Jorge, Sukumaran, Sathish K., Vorselaars, Bart and Likhtman, Alexei E. (2010) Efficient on the fly calculation of time correlation functions in computer simulations. The Journal of Chemical Physics, 133 (15). p. 154103. ISSN 0021-9606

Building blockes

CV

Yao, Jun, Yao, Y. and Mirzaii, H. (2014) Proton modified Pt zeolite fuel cell electrocatalysts. In: Renewable Energy Congress WREC XIII, 3-8 August 2014, London, UK.

Yao, Jun and Yao, Yufeng (2015) Proton modified Pt zeolite fuel cell electrocatalysts. In: Renewable energy in the service of mankind. Selected Topics from the World Renewable Energy Congress WREC 2014, Vol 1 (1). Springer International Publishing. ISBN 9783319177762, 9783319177779

Carbon nanotube bundles

Sarukhanyan, Edita, De Nicola, Antonio, Roccatano, Danilo, Kawakatsu, Toshihiro and Milano, Giuseppe (2014) Spontaneous insertion of carbon nanotube bundles inside biomembranes: a hybrid particle-field coarse-grained molecular dynamics study. Chemical Physics Letters, 595- (596). pp. 156-166. ISSN 0009-2614

Cell culture

Pinna, Marco, Zvelindovsky, Andrei, Todd, S. and Goldbeck-Wood, G. (2006) Cubic phases of block copolymers under shear and electric fields by cell dynamics simulation. I. Spherical phase. Journal of Chemical Physics, 125 (15). ISSN 0021-9606

Cell dynamics

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Chemical Physics

Para, Frank, Bocquet, Frank, Nony, Laurent, Loppacher, Christian, Féron, Michel, Cherioux, Fréderic, Gao, David Z., Canova, Filippo Federici and Watkins, Matthew (2018) Micrometre-long covalent organic fibres by photoinitiated chain-growth radical polymerization on an alkali-halide surface. Nature Chemistry, 10 (11). pp. 1112-1117. ISSN 1755-4330

Chemical physics

Ambler, Michael, Vorselaars, Bart, Allen, Michael P. and Quigley, David (2017) Solid–liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method. Journal of Chemical Physics, 146 (7). 074701. ISSN 0021-9606

Lifanov, Yuri, Vorselaars, Bart and Quigley, David (2016) Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways. The Journal of Chemical Physics, 145 (21). p. 211912. ISSN 0021-9606

Coarse-grained molecular models

Mulder, Tim, Harmandaris, Vagelis A., Lyulin, Alexey V., van der Vegt, Nico F. A., Vorselaars, Bart and Michels, Matthias A. J. (2008) Equilibration and deformation of amorphous polystyrene: scale-jumping simulational approach. Macromolecular Theory and Simulations, 17 (6). pp. 290-300. ISSN 1022-1352

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Combustion

Caruana, Daren J. and Yao, Jun (2003) Gas phase electrochemical detection of single latex particles. The Analyst, 128 (10). pp. 1286-1290. ISSN 1364-5528

Computational technique

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Computer simulation

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

Correlation function

Cryptophane

Zamberlan, Francesco, Lesbats, Clémentine, Rogers, Nicola J., Krupa, James L., Pavlovskaya, Galina E., Thomas, Neil R., Faas, Henryk M. and Meersmann, Thomas (2015) Molecular sensing with hyperpolarized 129Xe using switchable chemical exchange relaxation transfer. ChemPhysChem, 16 (11). pp. 2294-2298. ISSN 1439-4235

Crystal defects

Watkins, Matthew (2018) Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions. The Journal of Chemical Physics, 149 (2). 024103-1. ISSN 0021-9606

Crystalline Solids

Vorselaars, Bart (2015) A unified approach to computation of solid and liquid free energy to revisit the solid-fluid equilibrium of Lennard-Jones chains. The Journal of Chemical Physics, 142 (11). p. 114115. ISSN 0021-9606

Cyclic voltammetry (CV)

Yao, Jun and Yao, Yufeng (2015) Experimental study of characteristics of bimetallic Pt–Fe nano-particle fuel cell electrocatalyst. Renewable Energy, 81 . pp. 182-196. ISSN 0960-1481

Cylinders (shapes)

Cylindrical Pores

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Cylindrical domain

Cylindrical nanopores

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

DFT + U

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

DFT + U + V

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

DNA

Deformation and plasticity

Density Functional Theory

Density functional theory

Krumbein, Lukas, Anggara, Kelvin, Stella, Martina, Michnowicz, Tomasz, Ochner, Hannah, Abb, Sabine, Rinke, Gordon, Portz, André, Dürr, Michael, Schlickum, Uta, Baldwin, Andrew, Floris, Andrea, Kern, Klaus and Rauschenbach, Stephan (2021) Fast Molecular Compression by a Hyperthermal Collision Gives Bond-Selective Mechanochemistry. Physical Review Letters, 126 (5). 056001. ISSN 0031-9007

Ling, Sanliang, Watkins, Matthew and Shluger, Alexander L. (2013) Effects of atomic scale roughness at metal/insulator interfaces on metal work function. Physical Chemistry Chemical Physics, 15 (45). pp. 19615-19624. ISSN 1463-9076

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Density functional theory (DFT) calculations

Richter, Antje, Floris, Andrea, Bechstein, Ralf, Kantorovich, Lev and Kühnle, Angelika (2018) On-surface synthesis on a bulk insulator surface. Journal of Physics: Condensed Matter, 30 (13). pp. 1-15. ISSN 0953-8984

Density functional theory calculations

Density-functional calculations

Diblock copolymer

Higuchi, Takeshi, Pinna, Marco, Zvelindovsky, Andrei, Jinnai, Hiroshi and Yabu, Hiroshi (2016) Multipod structures of lamellae-forming diblock copolymers in three-dimensional confinement spaces: experimental observation and computer simulation. Journal of Polymer Science Part B: Polymer Physics, 54 (17). pp. 1702-1709. ISSN 0887-6266

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Diblock copolymer melts

Disordered structures

Dna base

Domain walls

Drug molecules

Dynamic atomic force microscopy

Dynamic critical exponents

EXAFS

Yao, Jun, Yao, Y. and Mirzaii, H. (2014) Proton modified Pt zeolite fuel cell electrocatalysts. In: Renewable Energy Congress WREC XIII, 3-8 August 2014, London, UK.

Electric field effects

Electrochemical

Caruana, Daren J. and Yao, Jun (2003) Gas phase electrochemical detection of single latex particles. The Analyst, 128 (10). pp. 1286-1290. ISSN 1364-5528

Electron energy levels

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Ellipsoids

Extended X-ray adsorption fine structure

Yao, Jun and Yao, Yufeng (2015) Experimental study of characteristics of bimetallic Pt–Fe nano-particle fuel cell electrocatalyst. Renewable Energy, 81 . pp. 182-196. ISSN 0960-1481

External electric field

Fast simulation methods

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Filaments (lamp)

First passage time

Roccatano, Danilo and Steven, Hayward (2019) Free Energy Profile of Domain Movement in Ligand-Free Citrate Synthase. The Journal of Physical Chemistry B, 123 (9). pp. 1998-2004. ISSN 1520-6106

Flow interactions

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Forming

Free energy

Free energy barrier

Roccatano, Danilo and Steven, Hayward (2019) Free Energy Profile of Domain Movement in Ligand-Free Citrate Synthase. The Journal of Physical Chemistry B, 123 (9). pp. 1998-2004. ISSN 1520-6106

Fuel Cell

Gas Phase

Caruana, Daren J. and Yao, Jun (2003) Gas phase electrochemical detection of single latex particles. The Analyst, 128 (10). pp. 1286-1290. ISSN 1364-5528

Gas-phase analysis

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

Genes

Ginzburg-Landau

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Glass transition

Lyulin, Alexey V., Li, J., Mulder, Tim, Vorselaars, Bart and Michels, M. A. J. (2006) Atomistic simulation of bulk mechanics and local dynamics of amorphous polymers. Macromolecular Symposia, 237 (1). pp. 108-118. ISSN 1022-1360

Vorselaars, Bart, Lyulin, Alexey V., Karatasos, K. and Michels, M. A. J. (2007) Non-Gaussian nature of glassy dynamics by cage to cage motion. Physical Review E, 75 (1). ISSN 1539-3755

Gold

Gold surfaces

H-bonding

High stability

Hydrogen

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Hydrogen Bonding

Patyukova, E., Rottreau, T., Evans, R., Topham, P. D. and Greenall, M. J. (2018) Hydrogen Bonding Aggregation in Acrylamide: Theory and Experiment. Macromolecules, 51 (18). pp. 7032-7043. ISSN 0024-9297

Hydrogen bonds

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Hyperpolarisation

Hyperthermal Collision

Insulating surfaces

JCNotOpen

Yao, Jun and Yao, Yufeng (2015) Experimental study of characteristics of bimetallic Pt–Fe nano-particle fuel cell electrocatalyst. Renewable Energy, 81 . pp. 182-196. ISSN 0960-1481

JCOpen

Kinetic pathway

Large scale systems

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

Lattice parameters

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

Liquids

Long-range ordering

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

Macromolecules

Likhtman, Alexei E., Talib, Mohamad S., Vorselaars, Bart and Ramirez, Jorge (2013) Determination of tube theory parameters using a simple grid model as an example. Macromolecules, 46 (3). pp. 1187-1200. ISSN 0024-9297

Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2009) Microscopic mechanisms of strain hardening in glassy polymers. Macromolecules, 42 (15). pp. 5829-5842. ISSN 0024-9297

Magnetic domains

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

Materials modelling

Mean field theory

Mechanochemistry

Mediate structural transitions

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Melamine formaldehyde resins

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Melamine structures

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Metal surfaces

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

Metastable structures, Block copolymers

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Micellar

Microdomains

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

Microphase separation

Microscopic examination

Minkowski functionals, Block copolymers

Mixtures

Paillusson, Fabien (2018) Gibbs' Paradox according to Gibbs and slightly beyond. Molecular Physics, 116 (21-22). pp. 3196-3213. ISSN 0026-8976

Molecular Dynamics Simulation

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Watkins, Matthew, Berkowitz, Max L. and Shluger, Alexander L. (2011) Role of water in atomic resolution AFM in solutions. Physical Chemistry Chemical Physics, 13 (27). pp. 12584-12594. ISSN 1463-9076

Molecular Imaging

Molecular dynamics

Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2007) Development of heterogeneity near the glass transition: phenyl-ring-flip motions in polystyrene. Macromolecules, 40 (16). pp. 6001-6011. ISSN 0024-9297

Molecular dynamics simulations

Roccatano, Danilo and Steven, Hayward (2019) Free Energy Profile of Domain Movement in Ligand-Free Citrate Synthase. The Journal of Physical Chemistry B, 123 (9). pp. 1998-2004. ISSN 1520-6106

Molecular modeling

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Molecular orbitals, Electric fields

Molecular self assembly

Molecules

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Monolayer structures

Monolayers

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Monte Carlo Simulation

Li, Jing, Mulder, Tim, Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2006) Monte Carlo simulation of uniaxial tension of an amorphous polyethylene-like polymer glass. Macromolecules, 39 (22). pp. 7774-7782. ISSN 0024-9297

Monte Carlo methods

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Multicomponents

Nano-architecture

Nanocages

Nanocarrier

Nanoparticle

Nanopores

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Nanoprobes, Computer simulation, silane derivative

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Nanoscience

Nanowire

Nonsymmetric

NotOAChecked

Greenall, Martin (2016) Disk-like bicelles in block copolymer/homopolymer blends. Macromolecules, 49 (2). pp. 723-730. ISSN 0024-9297

Greenall, Martin J. and Marques, Carlos M. (2014) Can adding oil control domain formation in binary amphiphile bilayers? Soft Matter, 10 (40). pp. 7925-7931. ISSN 1744-683X

Zangi, Ronen and Roccatano, Danilo (2016) Strings-to-rings transition and antiparallel dipole alignment in two-dimensional methanols. Nano Letters, 16 (5). pp. 3142-3147. ISSN 1530-6984

Nucleic acids

Order disorder transitions

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

Order-order transitions

Ordered arrangements

Ordered structures

Organic acids

Orthogonal fields, Block copolymers

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

PRP

O’ Reilly, Josephine P., Fisk, Jonathan D., Rooth, Maxim, Perkins, Elaine and Shaw, Andrew M. (2007) Non-linear plasmon response to protein binding at a nanostructured gold particle plasmon resonance surface. Phys. Chem. Chem. Phys., 9 (3). pp. 344-345. ISSN 1463-9076

Parallel Computation

Particles

Caruana, Daren J. and Yao, Jun (2003) Gas phase electrochemical detection of single latex particles. The Analyst, 128 (10). pp. 1286-1290. ISSN 1364-5528

Perturbations

Perylene-3 ,4 ,9 ,10-tetracarboxylic dianhydride

Phase separation

Phase transition kinetics

Phonons

Piezoelectric actuators

Planar structures

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

Pluronic micelles

Polymer dynamics

Polymer glass

Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2009) Microscopic mechanisms of strain hardening in glassy polymers. Macromolecules, 42 (15). pp. 5829-5842. ISSN 0024-9297

Polymer glasses

Polymer melts

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Polymeric amphiphiles

Greenall, Martin (2016) Disk-like bicelles in block copolymer/homopolymer blends. Macromolecules, 49 (2). pp. 723-730. ISSN 0024-9297

Greenall, Martin J. and Gompper, Gerhard (2011) Bilayers connected by threadlike micelles in amphiphilic mixtures: a self-consistent field theory study. Langmuir, 27 (7). pp. 3416-3423. ISSN 0743-7463

Greenall, Martin J. and Gompper, Gerhard (2012) Simple and complex micelles in amphiphilic mixtures: a coarse-grained mean-field study. Macromolecules, 45 (1). pp. 525-535. ISSN 0024-9297

Greenall, Martin J. and Marques, Carlos M. (2014) Can adding oil control domain formation in binary amphiphile bilayers? Soft Matter, 10 (40). pp. 7925-7931. ISSN 1744-683X

Greenall, Martin J. and Marques, Carlos M. (2013) Can amphiphile architecture directly control vesicle size? Physical Review Letters, 110 (8). ISSN 0031-9007

Greenall, Martin J. and Marques, Carlos M. (2012) Hydrophobic droplets in amphiphilic bilayers: a coarse-grained mean-field theory study. Soft Matter, 8 (12). pp. 3308-3314. ISSN 1744-683X

Greenall, Martin J., Schuetz, Peter, Furzeland, Steve, Atkins, Derek, Buzza, D. Martin A., Butler, Michael F. and McLeish, Tom C. B. (2011) Controlling the self-assembly of binary copolymer mixtures in solution through molecular architecture. Macromolecules, 44 (13). pp. 5510-5519. ISSN 0024-9297

Schuetz, Peter, Greenall, Martin J., Bent, Julian, Furzeland, Steve, Atkins, Derek, Butler, Michael F., McLeish, Tom C. B. and Buzza, D. Martin A. (2011) Controlling the micellar morphology of binary PEO–PCL block copolymers in water–THF through controlled blending. Soft Matter, 7 (2). pp. 749-759. ISSN 1744-683X

Polymers

Dessi, Roberta, Pinna, Marco and Zvelindovsky, Andrei V. (2013) Cell dynamics simulations of cylinder-forming diblock copolymers in thin films on topographical and chemically patterned substrates. Macromolecules, 46 (5). pp. 1923-1931. ISSN 0024-9297

Polystyrenes

Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2009) Microscopic mechanisms of strain hardening in glassy polymers. Macromolecules, 42 (15). pp. 5829-5842. ISSN 0024-9297

Polystyrenes, Alumina nanopores

Sevink, G. J. A. and Zvelindovsky, Andrei (2008) Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. Journal of Chemical Physics, 128 (8). ISSN 0021-9606

Poration

Probability density function

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Protein domain motion

Roccatano, Danilo and Steven, Hayward (2019) Free Energy Profile of Domain Movement in Ligand-Free Citrate Synthase. The Journal of Physical Chemistry B, 123 (9). pp. 1998-2004. ISSN 1520-6106

Pt/Y zeolite electrocatalyst

Yao, Jun, Yao, Y. and Mirzaii, H. (2014) Proton modified Pt zeolite fuel cell electrocatalysts. In: Renewable Energy Congress WREC XIII, 3-8 August 2014, London, UK.

Pt–Fe/Y zeolite;

Yao, Jun and Yao, Yufeng (2015) Experimental study of characteristics of bimetallic Pt–Fe nano-particle fuel cell electrocatalyst. Renewable Energy, 81 . pp. 182-196. ISSN 0960-1481

Real-space

Reptation

SPR

Fisk, Jonathan D., Rooth, Maxim and Shaw, Andrew M. (2007) Gold Nanoparticle Adsorption and Aggregation Kinetics at the Silica−Water Interface. The Journal of Physical Chemistry C, 111 (6). pp. 2588-2594. ISSN 1932-7447

STM images

Scanning Probe Microscope

Scanning Tunneling Microscopy (stm)

Scanning tunneling microscopy

Scanning tunneling microscopy (STM)

Scanning tunneling microscopy, Atomistic modelling

Self assembly

Greenall, Martin (2016) Disk-like bicelles in block copolymer/homopolymer blends. Macromolecules, 49 (2). pp. 723-730. ISSN 0024-9297

Greenall, Martin J. and Gompper, Gerhard (2012) Simple and complex micelles in amphiphilic mixtures: a coarse-grained mean-field study. Macromolecules, 45 (1). pp. 525-535. ISSN 0024-9297

Greenall, Martin J. and Marques, Carlos M. (2014) Can adding oil control domain formation in binary amphiphile bilayers? Soft Matter, 10 (40). pp. 7925-7931. ISSN 1744-683X

Greenall, Martin J. and Marques, Carlos M. (2013) Can amphiphile architecture directly control vesicle size? Physical Review Letters, 110 (8). ISSN 0031-9007

Greenall, Martin J. and Marques, Carlos M. (2012) Hydrophobic droplets in amphiphilic bilayers: a coarse-grained mean-field theory study. Soft Matter, 8 (12). pp. 3308-3314. ISSN 1744-683X

Self consistent field theory

Self-assembly

Self-consistent field theory

Shear flow

Short-range forces

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Silanes

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Small clusters

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Sodium chloride

Solutions

Statistical Mechanics

Paillusson, Fabien (2018) Gibbs' Paradox according to Gibbs and slightly beyond. Molecular Physics, 116 (21-22). pp. 3196-3213. ISSN 0026-8976

Strain hardening

Vorselaars, Bart, Lyulin, Alexey V. and Michels, M. A. J. (2009) Microscopic mechanisms of strain hardening in glassy polymers. Macromolecules, 42 (15). pp. 5829-5842. ISSN 0024-9297

Stress analysis

Structural motifs

Supramolecular assemblies, Functional polymers

Supramolecular chemistry

Supramolecular networks

Surface Properties

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Surface interaction energies

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Surphace coating

Roccatano, Danilo, Sarukhanyan, Edita and Zangi, Ronen (2017) Adsorption mechanism of an antimicrobial peptide on carbonaceous surfaces: a molecular dynamics study. Journal of chemical Physics, 146 (7). 074703. ISSN 0021-9606

Systematic methods

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Systems engineering, Block copolymers

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

T junctions

Thermal effects, Cell dynamics

Thermodynamics

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Thin films

Three dimensional, Lamellar

Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Orthogonal fields: A path to long-range three-dimensional order in block copolymers. Journal of Chemical Physics, 123 (7). ISSN 0021-9606

Three orders of magnitude

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Transient state, Block copolymers

Transition region, Imaging techniques

Two dimensional, Stereochemistry

Two dimensions, Two dimensional, dimer

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Two-dimensional system

Zangi, Ronen and Roccatano, Danilo (2016) Strings-to-rings transition and antiparallel dipole alignment in two-dimensional methanols. Nano Letters, 16 (5). pp. 3142-3147. ISSN 1530-6984

Type theory, Copolymerization

Pinna, Marco, Guo, Xiaohu and Zvelindovsky, Andrei (2009) Diblock copolymers in a cylindrical pore. Journal of Chemical Physics, 131 (21). p. 214902. ISSN 0021-9606

Ultrahigh vacuum scanning tunneling microscopies

Ultrahigh vacuum, Ab initio

Ultrahigh vacuum, Density functional theory

Unit cells, Density functional theory

Vacuum conditions, Vacuum, cytosine

Van der Waals forces, Ab initio

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

Water

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Water chemistry

Water density, Atomic force microscopy

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

Xanthine

Chen, Chong, Sang, Hongqian, Ding, Pengchenn, Sun, Ye, Mura, Manuela, Hu, Ying, Kantorovich, Lev N., Besenbacher, Flemming and Yu, Miao (2018) Xanthine quartets on Au(111). Journal of the American Chemical Society, 140 (1). pp. 54-57. ISSN 0002-7863

Xenon

absorbance

Fisk, Jonathan D., Hayes, Neil W., Barnett, Daniel, Farries, Mark, Tasker, Karen M. and Shaw, Andrew M. (2005) Fiber optic implementation of evanescent wave cavity ring-down spectroscopy for chemical detection. In: EUROPEAN SYMPOSIUM ON OPTICS AND PHOTONICS FOR DEFENCE AND SECURITY, 26-28 September 2005, Bruges, Belgium.

adsorption

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

alloys

Li, Junning, Wang, Yu, Curcio, Davide, Lizzit, Silvano, Baraldi, Alessandro, Kantorovich, Lev and Floris, Andrea (2017) Ethylene Dissociation on Ni3Al(111). The Journal of Physical Chemistry C, 121 (14). pp. 7967-7976. ISSN 1932-7447

amphiphilic molecules

Zangi, Ronen and Roccatano, Danilo (2016) Strings-to-rings transition and antiparallel dipole alignment in two-dimensional methanols. Nano Letters, 16 (5). pp. 3142-3147. ISSN 1530-6984

antiferromagnetism

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

article

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

atomic force microscopy

Aeschlimann, Simon, Bauer, Sebastian V., Vogtland, Maximilian, Stadtmüller, Benjamin, Aeschlimann, Martin, Floris, Andrea, Bechstein, Ralf and Kühnle, Angelika (2020) Creating a regular array of metal-complexing molecules on an insulator surface at room temperature. Nature Communications, 11 . p. 6424. ISSN 2041-1723

Miyazawa, Keisuke, Watkins, Matthew, Shluger, Alexander and Fukuma, Takeshi (2017) Influence of ions on two-dimensional and three-dimensional atomic force microscopy at fluorite-water interfaces. Nanotechnology, 28 (4). p. 245701. ISSN 0957-4484

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

atomic scale

Ling, Sanliang, Watkins, Matthew B. and Shluger, Alexander L. (2013) Effects of atomic scale roughness at metal/insulator interfaces on metal work function. Physical Chemistry Chemical Physics, 15 (45). p. 19615. ISSN 1463-9076

atomistic simulations

bilayer

bimetallic surfaces

biomembranes

bmjgoldcheck

bulk insulator

calcite

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

carbon nanotube

catalysis

cavity ring-down

chemical interaction

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

chemical structure

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

chemistry

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

classical molecular dynamics

Leonardi, Erminia, Floris, Andrea, Bose, Sankhadeep and D'Aguanno, Bruno (2020) Unified Description of the Specific Heat of Ionic Bulk Materials Containing Nanoparticles. ACS Nano, 15 (1). pp. 563-574. ISSN 1936-0851

computational chemistry

watkins, Matt and Chulkov, Sergey (2019) The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study. Frontiers in Chemistry . ISSN 2296-2646

computer modeling

concentrated solar power

confined liquid

covalent assembly

density functional calculations

density functional theory

dimerization

dynamic heterogeneity

e-CRDS

electrolytes

Berthoumieux, Helene and Paillusson, Fabien (2019) Dielectric response in the vicinity of an ion: A nonlocal and nonlinear model of the dielectric properties of water. The Journal of Chemical Physics, 150 (9). 094507. ISSN 0021-9606

electronic decoupling

electrospray ion beam deposition

energy transfer

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

entropy

equipment

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

ethylene

ferrimagnetism

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

ferromagnetism

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

fibre optic

field theory

flat organic molecules

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

flat periodic patterns

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

fluids under confinement

Zangi, Ronen and Roccatano, Danilo (2016) Strings-to-rings transition and antiparallel dipole alignment in two-dimensional methanols. Nano Letters, 16 (5). pp. 3142-3147. ISSN 1530-6984

force field

free software

fuel cell

Yao, Jun, Yao, Y. and Mirzaii, H. (2014) Proton modified Pt zeolite fuel cell electrocatalysts. In: Renewable Energy Congress WREC XIII, 3-8 August 2014, London, UK.

gas

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

geometry

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

glass cage

Vorselaars, Bart, Lyulin, Alexey V., Karatasos, K. and Michels, M. A. J. (2007) Non-Gaussian nature of glassy dynamics by cage to cage motion. Physical Review E, 75 (1). ISSN 1539-3755

gold

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

gold nanoparticles

gold nanosurfaces

gold, article

graphene

hopping

Vorselaars, Bart, Lyulin, Alexey V., Karatasos, K. and Michels, M. A. J. (2007) Non-Gaussian nature of glassy dynamics by cage to cage motion. Physical Review E, 75 (1). ISSN 1539-3755

hydrogen bond

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

insulating surfaces

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

interactions

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

interface structures

intermediate filament

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

ionic crystal

kinetics

magnetic anisotropy energy

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

materials science

mechanical properties

melamine

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

metal

metal array

metal nanoparticles

Wang, Huan, Lim, Ju Won, Marques Mota, Filipe, Jang, Yu Jin, Yoon, Minji, Kim, Heejun, Hu, Wei, Noh, Yong-Young and Kim, Dong Ha (2017) Plasmon-mediated wavelength-selective enhanced photoresponse in polymer photodetectors. Journal of Materials Chemistry C, 5 (2). pp. 399-407. ISSN 2050-7534

metal/insulator interfaces

molecular dynamics

Vorselaars, Bart, Lyulin, Alexey V., Karatasos, K. and Michels, M. A. J. (2007) Non-Gaussian nature of glassy dynamics by cage to cage motion. Physical Review E, 75 (1). ISSN 1539-3755

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

molecular electronics

molten salts

monolayer culture

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

nanomaterials

nanoparticle

Yao, Jun, Yao, Y. and Mirzaii, H. (2014) Proton modified Pt zeolite fuel cell electrocatalysts. In: Renewable Energy Congress WREC XIII, 3-8 August 2014, London, UK.

nanostructures

nanotechnology

naphthalene

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

non-gaussian behaviour

Vorselaars, Bart, Lyulin, Alexey V., Karatasos, K. and Michels, M. A. J. (2007) Non-Gaussian nature of glassy dynamics by cage to cage motion. Physical Review E, 75 (1). ISSN 1539-3755

nudged elastic band

on-surface synthesis

on-surface synthesis on insulators

optical sensor

order?disorder transition

Zangi, Ronen and Roccatano, Danilo (2016) Strings-to-rings transition and antiparallel dipole alignment in two-dimensional methanols. Nano Letters, 16 (5). pp. 3142-3147. ISSN 1530-6984

perylene

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

photocatalysis

photodiodes

physiology

polyethylene (PE)

polymer photodetectors

polymers

polystyrene

priority journal

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

protein

quantum theory

relaxation

renewable energy

self-assembly

Mura, Manuela (2010) Self-assembly of flat organic molecules on metal surfaces: a theoretical characterisation. PhD thesis, King's College, London.

self-consistent field theory

self-organization

Zangi, Ronen and Roccatano, Danilo (2016) Strings-to-rings transition and antiparallel dipole alignment in two-dimensional methanols. Nano Letters, 16 (5). pp. 3142-3147. ISSN 1530-6984

shift values

silanol

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

single molecule magnets

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

solution and solubility

strain hardening

structure of liquids

surface plasmon resonance

surface property

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

surface property, Cytosine

surface property, Microscopy, Atomic Force

tetramer, ab initio calculation

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

theoretical study

Mura, M., Martsinovich, N. and Kantorovich, L. (2008) Theoretical study of melamine superstructures and their interaction with the Au(111) surface. Nanotechnology, 19 (46). ISSN 0957-4484

theory and experiment

thermal energy storage

thermodynamics, Microscopy, Atomic Force

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

transition metals

Cococcioni, Matteo and Floris, Andrea (2021) Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface. Applied Sciences, 11 (9). p. 3806. ISSN 2076-3417

van der Waals (vdW)

viscoelasticity

water

water, article

Watkins, Matthew and Reischl, Bernhard (2013) A simple approximation for forces exerted on an AFM tip in liquid. Journal of Chemical Physics, 138 (15). ISSN 0021-9606

wavelength-selectable photodetection

work function shift

yield stress

This list was generated on Sat Jun 3 11:28:04 2023 BST.

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