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  • Currently displaying 19801 - 19820 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Theory and applications of spin-restricted open-shell Møller-Plesset theory
DJ Tozer, NC Handy, RD Amos, JA Pople, RH Nobes, Y Xie, HF Schaefer
Molecular Physics
(2006)
79
Coexistence in small inert gas clusters
DJ Wales
Mol. Phys.
(2006)
78
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
Rovibronic 2B1(Πu)-2A1 spectrum of the BH2 radical
M Brommer, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
77
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
The stability of the AB13 crystal in a binary hard sphere system
MD Eldridge, PA Madden, D Frenkel
Molecular Physics
(2006)
79
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46
Desolvation tips the balance: Solvent effects on aromatic interactions
SL Cockroft, CA Hunter
Chem Commun (Camb)
(2006)
X-ray scattering study of the effect of hydration on the cross-beta structure of amyloid fibrils.
AM Squires, GL Devlin, SL Gras, AK Tickler, CE MacPhee, CM Dobson
J Am Chem Soc
(2006)
128
An Experiment in Crystal Structure Prediction by Popular Vote
GM Day, WDS Motherwell
Crystal Growth & Design
(2006)
6
Ubiquitin: A Small Protein Folding Paradigm
SE Jackson
ChemInform
(2006)
37
Coordination modes of pyridine-carboxylic acid derivatives in samarium (III) complexes
PCR Soares-Santos, FAA Paz, RAS Ferreira, J Klinowski, LD Carlos, T Trindade, HIS Nogueira
Polyhedron
(2006)
25
A continuous random network approach to the structure of vitreous boron trioxide
SR Elliott
Philosophical Magazine B
(2006)
37
Pressure dependence of the electrical conductivity of amorphous red phosphorus
P Extance, SR Elliott
Philosophical Magazine B
(2006)
43
The mechanism for a.c. conduction in chalcogenide semiconductors: Electronic or atomic?
SR Elliott
Philosophical Magazine B
(2006)
40
Effect of light soaking on the photoconductivity and recombination in hydrogenated amorphous silicon
J-H Zhou, SR Elliott
Philosophical Magazine B Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
(2006)
66