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  • Currently displaying 22041 - 22060 of 30136 publications
Author(s)
Publication title
Journal Name
Publication year
A computational and experimental search for polymorphs of parabanic acid – a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/
TC Lewis, DA Tocher, GM Day, SL Price
CrystEngComm
(2003)
5
Calculation of the melting point of NaCl by molecular simulation
J Anwar, D Frenkel, MG Noro
The Journal of Chemical Physics
(2003)
118
Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid:base complexes
N Shan, AD Bond, W Jones
New Journal of Chemistry
(2003)
27
Vibrational relaxation in potentially reactive collisions: Temperature and isotope effects
I Smith
IEEE Journal of Quantum Electronics
(2003)
11
VIBRATIONAL RELAXATION OF CARBON-MONOXIDE (4 LESS-THAN-OR-EQUAL-TO 11) AT 85 K
C Wittig, I Smith
IEEE Journal of Quantum Electronics
(2003)
QE 9
Self-consistent determination of the transition state for protein folding: application to a fibronectin type III domain.
E Paci, J Clarke, A Steward, M Vendruscolo, M Karplus
Proceedings of the National Academy of Sciences of the United States of America
(2003)
100
RELAXATION OF HCL(UPSILON = 1) AND DCL(UPSILON = 1) BY CL AND O ATOMS
R Brown, G Glass, I Smith
IEEE Journal of Quantum Electronics
(2003)
11
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{111}
A Michaelides, M-L Bocquet, P Sautet, A Alavi, DA King
Chemical Physics Letters
(2003)
367
A convenient method for the synthesis of dehydroquinic acid
C Le Sann, C Abell, AD Abell
Synthetic Communications
(2003)
33
A tilt-dependent diffusional potential energy landscape: benzyne on Ir{100}
S Yamagishi, SJ Jenkins, DA King
Chemical Physics Letters
(2003)
367
Membrane protein simulations: Ion channels and bacterial outer membrane proteins
C Domene, PJ Bond, MS Sansom
Advances in Protein Chemistry
(2003)
66
Recent developments in linker design and application
AJ Wills, S Balasubramanian
Curr Opin Chem Biol
(2003)
7
Structure of solid monolayers and multilayers of n-hexane on graphite
M Krishnan, S Balasubramanian, S Clarke
Journal of Chemical Sciences
(2003)
115
2P-0535 Short term remodelling of the aorta of cholesterol fed New Zealand White (NZW) rabbits shown by high-resolution magnetic resonance imaging (MRI)
L Hegyi, AL Busza, PD Hockings, JN Skepper, TA Carpenter, GA Whelan, DC Grimsditch, P Overend, GM Benson, DG Reid, KE Suckling, PL Weissberg
Atherosclerosis Supplements
(2003)
4
The circularization of amyloid fibrils formed by apolipoprotein C-II
DM Hatters, CA MacRaild, R Daniels, WS Gosal, NH Thomson, JA Jones, JJ Davis, CE MacPhee, CM Dobson, GJ Howlett
Biophysical journal
(2003)
85
Pressure broadening of the lowest rotational transition of H35Cl by N2 and O2
L Zu, PA Hamilton, KV Chance, PB Davies
Journal of Molecular Spectroscopy
(2003)
220
Organo-functionalised arsine and stibine organometallics; syntheses and structural characterisations (see abstract)
MA Paver, JS Joy, SJ Coles, MB Hursthouse, JE Davies
Polyhedron
(2003)
22
Rotational reorientation dynamics of nile blue A and oxazine 720 in protic solvents
M Kubinyi, A Grofcsik, I Pápai, WJ Jones
Chemical Physics
(2003)
286
Cutting edge approaches to drug design
A Bender
Drug Discovery Today Biosilico
(2003)
1
Sequential unfolding of ankyrin repeats in tumor suppressor p16.
KS Tang, AR Fersht, LS Itzhaki
Structure
(2003)
11