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Items where Subject is "F130 Structural Chemistry"

JACS Subject (37)
- F Physical Sciences (37)
  - F130 Structural Chemistry (37)

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5-Nitrouracil 5-nitrouracil ?-Stacking interaction Adenine molecules Anthraquinonecarboxylic acid Anticancer Arsenates Atomistic structure Au(1 1 1 ) Binding Assay Biochemistry Bioinorganic chemistry Building blockes Calcium Silica Hydrate Chirality Concrete Conformational chirality Crystal Growth Crystal engineering Crystal growth Crystallization Crystallography DMSO solvate Dehydration Density functional theory (DFT) calculations Density functional theory calculations Dislocations EXAFS Energetics Enzyme models Enzymes Etching Fuel Cell Fuel Cell. Fuel cell catalysts; X-ray absorption spectroscopy; X-ray diffraction Geometrical and electronic structures HMX High stability High-valent compounds Hydrogen Hydrogen Bonding Hydrogen bonds Indolizine Intermolecular interactions Intramolecular interactions Iron centers JCOpen Magnetic Resonance Spectroscopy Molecular Conformation Molecular self assembly Molecular structure Molecules Monolayers Multicomponents Nano-architecture Nanoparticle Nonheme iron complexes Nonlinear optic materials Nonsymmetric NotOAChecked Organic compounds Organic synthesis Oxalic acid Oxidants Oxoiron Paracetamol Perylene-3 ,4 ,9 ,10-tetracarboxylic dianhydride Polymorphism Post-fire analysis Pt on Y zeolite catalyst Pyrrole-chalcones Raman spectroscopy Redox non innocence Scanning Tunneling Microscopy (stm) Scanning tunneling microscopy Self assembly Solvate Spin dynamics, Iron compounds, Fe(IV)(O)(1,1,1-tris(2-(N2-(1,1,3,3-tetramethylguanidino))thyl)amine) Structures Supramolecular networks TNT Tetradentate Top seeded solution growth Trigonal bipyramidal geometry, Amines Two dimensional, Stereochemistry Unit cells, Density functional theory Vibrational spectroscopy X-ray diffraction X-ray structure X-ray study X-ray topography Xanthine anisole bisphenol bispyridyl ketone bmjcheck bromine bromine interactions calixarene co crystal compressive strength conformational analysis conformational studies cyclophane elevated temperature ferrous ion heterocycles hydration inclusion compound inorganic chemistry isometricity comparison isostructurality morphotropism nuclear magnetic resonance spectroscopy organic synthesis oxidizing agent, chemistry paracetamol peptide polymorphism polymorphs pyrene redox active ligands redox non-innocence solid state synthesis, Ferrous Compounds synthon transition metal complexes trimesic acid homologue

Number of items at this level: 169.

5-Nitrouracil

Okoth, Maurice O., Vrcelj, Ranko M., Sheen, David B. and Sherwood, John N. (2013) Dehydration mechanism of a small molecular solid: 5-nitrouracil hydrate. CrystEngComm, 15 (40). p. 8202. ISSN 1466-8033

5-nitrouracil

Okoth, Maurice O., Vrcelj, Ranko M., Pitak, Mateusz B., Sheen, David B. and Sherwood, John N. (2012) Polymorphism and hydrated states in 5-nitrouracil crystallized from aqueous solution. Crystal Growth & Design, 12 (10). pp. 5002-5011. ISSN 1528-7483

?-Stacking interaction

Gruber, Tobias, Helas, Stefanie F., Seichter, Wilhelm and Weber, Edwin (2010) X-ray crystal structures of two solvent complexes involving positionally isomeric 9,10-anthraquinonecarboxylic acids and DMSO. Structural Chemistry, 21 (5). pp. 1079-1083. ISSN 1040-0400

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

Anthraquinonecarboxylic acid

Anticancer

Munshi, Tasnim, Scowen, Ian, Abdull Manap, Mohd Rashidi, Ismail, Ahmad Zaidi, Ahmad, Haslina, Abdullah, Maryam Aisyah, Mohd Faudzi, Siti Munirah and Azamudin, Nurin Syahmimi (2018) Pyrrole-chalcone analogues as DNA binding agents. In: Industrial Chemistry Seminar XXI, 10 May 2018, Selangor, Malaysia.

Arsenates

Gallagher, H. G., Qi, X, Sherwood, J. N. and Vrcelj, R. M. (2001) Crystal growth and characterisation of KTiOAsO4. Journal of Crystal Growth, 224 (3-4). pp. 303-308. ISSN 0022-0248

Atomistic structure

Au(1 1 1 )

Binding Assay

Biochemistry

England, Jason, Martinho, M., Farquhar, E.R., Frisch, J.R., Bominaar, E.L., MÃ¼nck, E. and Que Jr., L. (2009) A Synthetic High-Spin Oxoiron(IV) Complex: Generation, Spectroscopic Characterization, and Reactivity. Angewandte Chemie International Edition, 48 (20). pp. 3622-3626. ISSN 1433-7851

Bioinorganic chemistry

Building blockes

Calcium Silica Hydrate

Kerr, Tanya, Vetter, Marleen and Gonzalez-Rodriguez, Jose (2021) Evaluating Residual Compressive strength of Post-fire Concrete using Raman 3 Spectroscopy. Forensic Science International, 325 . ISSN 2665-9107

Chirality

Gruber, Tobias, Gruner, Margit, Fischer, Conrad, Seichter, Wilhelm, Bombicz, Petra and Weber, Edwin (2010) Conformational behaviour and first crystal structures of a calix[4]arene featuring a laterally positioned carboxylic acid function in unsolvated and solvent-complexed forms. New Journal of Chemistry, 34 (2). p. 250. ISSN 1144-0546

Concrete

Conformational chirality

Katzsch, Felix, Gruber, Tobias, Schwarzer, Anke and Weber, Edwin (2019) Structural study involving 9-(pyrid-2-yl)indolizine-1-one and related derivatives of dipyridyl methanol. Journal of Molecular Structure . ISSN 0022-2860

Crystal Growth

Vrcelj, Ranko M., Shepherd, Evelyn E. A., Yoon, Choon-Sup, Sherwood, John N. and Kennedy, Alan R. (2002) Preparation and structural evaluation of the conformational polymorphs of α-[(4-Methoxyphenyl)methylene]-4-nitrobenzeneacetonitrile. Crystal Growth & Design, 2 (6). pp. 609-617. ISSN 1528-7483

Crystal engineering

Fischer, Conrad, Gruber, Tobias, Eissmann, Diana, Seichter, Wilhelm and Weber, Edwin (2011) Unusual behavior of a calix[4]arene featuring the coexistence of basic cone and 1,2-alternate conformations in a solvated crystal. Crystal Growth & Design, 11 (5). pp. 1989-1994. ISSN 1528-7483

Crystal growth

Gallagher, Hugh G., Sherwood, John N. and Vrcelj, Ranko M. (2014) Growth and dislocation studies of β-HMX. Chemistry Central, 8 (1). p. 75. ISSN 1752-153X

Crystallization

Vrcelj, Ranko M., Gallagher, Hugh G. and Sherwood, John N. (2001) Polymorphism in 2,4,6-trinitrotoluene crystallized from solution. Journal of the American Chemical Society, 123 (10). pp. 2291-2295. ISSN 0002-7863

Crystallography

Vrcelj, Ranko M., Clark, Nathan I.B., Kennedy, Alan R., Sheen, David B., Shepherd, Evelyn E.A. and Sherwood, John N. (2003) Two new paracetamol/dioxane solvates - a system exhibiting a reversible solid-state phase transformation. Journal of Pharmaceutical Sciences, 92 (10). pp. 2069-2073. ISSN 0022-3549

DMSO solvate

Dehydration

Density functional theory (DFT) calculations

Wang, M., Weyhermueller, T., England, Jason and Wieghardt, K. (2013) Molecular and Electronic Structures of Six-Coordinate “Low-Valent” [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F). Inorganic Chemistry, 52 (21). pp. 12763-12776. ISSN 0020-1669

Density functional theory calculations

Wang, M., England, Jason, Weyhermüller, T. and Wieghardt, K. (2014) Molecular and electronic structures of the members of the electron transfer series [Mn(bpy)3]n (n = 2+, 1+, 0, 1-) and [Mn(tpy) 2]m (m = 4+, 3+, 2+, 1+, 0). An experimental and density functional theory study. Inorganic Chemistry, 53 (4). pp. 2276-2287. ISSN 0020-1669

Wolff, C., Gottschlich, A., England, Jason, Wieghardt, K., Saak, W., Haase, D. and Beckhaus, R. (2015) Molecular and Electronic Structures of Mononuclear and Dinuclear Titanium Complexes Containing π-Radical Anions of 2,2'-Bipyridine and 1,10-Phenanthroline: An Experimental and DFT Computational Study. Inorganic Chemistry, 54 (10). pp. 4811-4820. ISSN 0020-1669

Dislocations

Gallagher, Hugh G., Sherwood, John N. and Vrcelj, Ranko M. (2014) Growth and dislocation studies of β-HMX. Chemistry Central, 8 (1). p. 75. ISSN 1752-153X

EXAFS

Rose, Abigail, Maniguet, Stephanie, Mathew, Rebecca J., Slater, Claire, Yao, Jun and Russell, Andrea E. (2003) Hydride phase formation in carbon supported palladium nanoparticle electrodes investigated using in situ EXAFS and XRD. Physical Chemistry Chemical Physics, 15 (5). pp. 3220-3225. ISSN 1463-9076

Yao, Jun and Yao, Yufeng (2012) Characteristics of Pt on zeolite electrocatalyst for direct methanol fuel cell. In: The 2nd Int. Conf. on Engineering and Technology Innovation, 2-6 November 2012, Kaohsiung, Taiwan.

Energetics

Gallagher, Hugh G., Sherwood, John N. and Vrcelj, Ranko M. (2014) Growth and dislocation studies of β-HMX. Chemistry Central, 8 (1). p. 75. ISSN 1752-153X

Enzyme models

Enzymes

Etching

Gallagher, Hugh G., Sherwood, John N. and Vrcelj, Ranko M. (2014) Growth and dislocation studies of β-HMX. Chemistry Central, 8 (1). p. 75. ISSN 1752-153X

Fuel Cell

Fuel Cell.

Fuel cell catalysts; X-ray absorption spectroscopy; X-ray diffraction

Russell, Andrea E., Maniguet, Stephanie, Mathew, Rebecca J., Yao, Jun, Roberts, Mark A. and Thompsett, David (2001) In situ X-ray absorption spectroscopy and X-ray diffraction of fuel cell electrocatalysts. Journal of Power Sources, 96 (1). pp. 226-232. ISSN 0378-7753

Geometrical and electronic structures

HMX

Gallagher, Hugh G., Sherwood, John N. and Vrcelj, Ranko M. (2014) Growth and dislocation studies of β-HMX. Chemistry Central, 8 (1). p. 75. ISSN 1752-153X

High stability

High-valent compounds

Hydrogen

Hydrogen Bonding

Hydrogen bonds

Indolizine

Intermolecular interactions

Gruber, Tobias, Bombicz, Petra, Seichter, Wilhelm and Weber, Edwin (2009) X-ray crystal structures and isostructurality calculation of calix[4]arenes with lower rim propyl and carboxylic acid or mixed carboxylic acid and ester substituents involving solvent complexes with methanol and ethanol. Journal of Structural Chemistry, 50 (3). pp. 522-531. ISSN 0022-4766

Katzsch, Felix, Gruber, Tobias and Weber, Edwin (2016) Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate. IUCrData, 1 (4). x160629. ISSN 2414-3146

Intramolecular interactions

Weck, Christian, Katzsch, Felix and Gruber, Tobias (2015) Synthesis, conformational parameters and packing considerations of methyl bispyridyl ketones. Journal of Molecular Structure, 1098 . pp. 261-266. ISSN 0022-2860

Iron centers

JCOpen

Bombicz, Petra, Gruber, Tobias, Fischer, Conrad, Weber, Edwin and Kálmán, Alajos (2014) Fine tuning of crystal architecture by intermolecular interactions: synthon engineering. CrystEngComm, 16 (18). p. 3646. ISSN 1466-8033

Gallagher, Hugh G., Sherwood, John N. and Vrcelj, Ranko M. (2014) Growth and dislocation studies of β-HMX. Chemistry Central, 8 (1). p. 75. ISSN 1752-153X

Katzsch, Felix, Gruber, Tobias and Weber, Edwin (2016) Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate. IUCrData, 1 (4). x160629. ISSN 2414-3146

Magnetic Resonance Spectroscopy

Molecular Conformation

Fischer, Conrad, Gruber, Tobias, Seichter, Wilhelm and Weber, Edwin (2011) Bridge-substituted calix[4]arenes: syntheses, conformations and application. Organic & Biomolecular Chemistry, 9 (11). pp. 4347-4352. ISSN 1477-0520

Gruber, Tobias, Seichter, Wilhelm and Weber, Edwin (2008) Crystal structures of a calix[4]arene controlled by two affixed pyrene units. Supramolecular Chemistry, 20 (8). pp. 753-760. ISSN 1061-0278

Gruber, Tobias, Peukert, Max, Schindler, Diana, Seichter, Wilhelm, Weber, Edwin and Bombicz, Petra (2008) Crystalline inclusion compounds of lower rim propyl substituted calix[4]arenes featuring different number and positions of the modifying groups. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 62 (3-4). pp. 311-324. ISSN 0923-0750

Molecular self assembly

Molecular structure

Molecules

Monolayers

Multicomponents

Nano-architecture

Nanoparticle

Nonheme iron complexes

Nonlinear optic materials

Gallagher, H. G., Qi, X, Sherwood, J. N. and Vrcelj, R. M. (2001) Crystal growth and characterisation of KTiOAsO4. Journal of Crystal Growth, 224 (3-4). pp. 303-308. ISSN 0022-0248

Nonsymmetric

NotOAChecked

Gruber, Tobias, Nestler, Robert, Seichter, Wilhelm and Bombicz, Petra (2014) Crystal structures and isometricity comparison of methylated bisphenol F derivatives. Journal of Molecular Structure, 1056-7 . pp. 319-325. ISSN 0022-2860

Organic compounds

Gallagher, Hugh G., Vrcelj, Ranko M. and Sherwood, John N. (2003) The crystal growth and perfection of 2,4,6-trinitrotoluene. Journal of Crystal Growth, 250 (3-4). pp. 486-498. ISSN 0022-0248

Organic synthesis

Gruber, Tobias, Seichter, Wilhelm and Weber, Edwin (2008) Crystal structures of a calix[4]arene controlled by two affixed pyrene units. Supramolecular Chemistry, 20 (8). pp. 753-760. ISSN 1061-0278

Oxalic acid

Okoth, Maurice Oduor, Vrcelj, Ranko Mirko, Sheen, David Bernard and Sherwood, John Neil (2012) Hydration studies of a simple molecular solid. CrystEngComm, 14 (5). p. 1602. ISSN 1466-8033

Oxidants

Oxoiron

Paracetamol

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

Polymorphism

Post-fire analysis

Pt on Y zeolite catalyst

Pyrrole-chalcones

Raman spectroscopy

Redox non innocence

Scanning Tunneling Microscopy (stm)

Scanning tunneling microscopy

Self assembly

Solvate

Spin dynamics, Iron compounds, Fe(IV)(O)(1,1,1-tris(2-(N2-(1,1,3,3-tetramethylguanidino))thyl)amine)

Structures

Vrcelj, Ranko M., Sherwood, John N., Kennedy, Alan R., Gallagher, Hugh G. and Gelbrich, Thomas (2003) Polymorphism in 2-4-6 trinitrotoluene. Crystal Growth & Design, 3 (6). pp. 1027-1032. ISSN 1528-7483

Supramolecular networks

TNT

Gallagher, Hugh G., Vrcelj, Ranko M. and Sherwood, John N. (2003) The crystal growth and perfection of 2,4,6-trinitrotoluene. Journal of Crystal Growth, 250 (3-4). pp. 486-498. ISSN 0022-0248

Tetradentate

Trigonal bipyramidal geometry, Amines

Two dimensional, Stereochemistry

Unit cells, Density functional theory

Vibrational spectroscopy

X-ray diffraction

Gruber, Tobias, Seichter, Wilhelm and Weber, Edwin (2008) Crystal structures of a calix[4]arene controlled by two affixed pyrene units. Supramolecular Chemistry, 20 (8). pp. 753-760. ISSN 1061-0278

Nestler, Robert, Schwarzer, Anke and Gruber, Tobias (2018) Different supramolecular interactions mediated by bromine atoms in the crystal structures of three anisole derivatives. Acta Crystallographica Section C Structural Chemistry, C74 (3). pp. 283-288. ISSN 2053-2296

X-ray structure

Katzsch, Felix, Gruber, Tobias and Weber, Edwin (2016) Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate. IUCrData, 1 (4). x160629. ISSN 2414-3146

X-ray study

Gruber, Tobias, Weber, Edwin, Seichter, Wilhelm, Bombicz, Petra and Csöregh, Ingeborg (2007) Versatile inclusion behaviour of a dinitrocalix[4]arene having two ester pendants: preparation and X-ray crystal structures of complexes. Supramolecular Chemistry, 18 (6). pp. 537-547. ISSN 1061-0278

X-ray topography

Gallagher, H. G., Qi, X, Sherwood, J. N. and Vrcelj, R. M. (2001) Crystal growth and characterisation of KTiOAsO4. Journal of Crystal Growth, 224 (3-4). pp. 303-308. ISSN 0022-0248

Gallagher, Hugh G., Vrcelj, Ranko M. and Sherwood, John N. (2003) The crystal growth and perfection of 2,4,6-trinitrotoluene. Journal of Crystal Growth, 250 (3-4). pp. 486-498. ISSN 0022-0248

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

anisole

bisphenol

bispyridyl ketone

bmjcheck

bromine bromine interactions

calixarene

co crystal

Blagden, Nicholas, Singh, Ishwar and Nauha, Elisa (2018) The impact of trifluoroacetic acid on peptide cocrystallisation: multicomponent crystals of L-Leu-L-Leu dipeptides. Crystal Growth & Design, 18 (8). pp. 4682-4690. ISSN 1528-7483

compressive strength

conformational analysis

conformational studies

cyclophane

elevated temperature

ferrous ion

heterocycles

hydration

Okoth, Maurice Oduor, Vrcelj, Ranko Mirko, Sheen, David Bernard and Sherwood, John Neil (2012) Hydration studies of a simple molecular solid. CrystEngComm, 14 (5). p. 1602. ISSN 1466-8033

inclusion compound

inorganic chemistry

isometricity comparison

isostructurality

morphotropism

nuclear magnetic resonance spectroscopy

organic synthesis

oxidizing agent, chemistry

paracetamol

Burley, Jonathan C., Duer, Melinda J., Stein, Robin S. and Vrcelj, Ranko M. (2007) Enforcing Ostwald's rule of stages: isolation of paracetamol forms III and II. European Journal of Pharmaceutical Sciences, 31 (5). pp. 271-276. ISSN 0928-0987

peptide

polymorphism

polymorphs

pyrene

Gruber, Tobias, Seichter, Wilhelm and Weber, Edwin (2008) Crystal structures of a calix[4]arene controlled by two affixed pyrene units. Supramolecular Chemistry, 20 (8). pp. 753-760. ISSN 1061-0278

redox active ligands

redox non-innocence

solid state

synthesis, Ferrous Compounds

synthon

transition metal complexes

trimesic acid homologue

Katzsch, Felix, Gruber, Tobias and Weber, Edwin (2016) Trimethyl 3,3',3''-(benzene-1,3,5-triyl)tripropynoate. IUCrData, 1 (4). x160629. ISSN 2414-3146

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