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  • Currently displaying 27781 - 27800 of 29614 publications
Author(s)
Publication title
Journal Name
Publication year
Density functional theory of soft sphere freezing
JL Barrat, JP Hansen, G Pastore, EM Waisman
The Journal of Chemical Physics
(1987)
86
Infrared laser spectroscopy of the fundamental band of a 3π CO
PB Davies, PA Martin
Chemical Physics Letters
(1987)
136
VELOCITY AUTOCORRELATION FUNCTIONS IN A 2D LATTICE LORENTZ GAS - COMPARISON OF THEORY AND COMPUTER-SIMULATION
D Frenkel
Physics Letters A
(1987)
121
Factorization of the Triplet Direct Correlation Function in Dense Fluids
JL Barrat, JP Hansen, G Pastore
Phys Rev Lett
(1987)
58
Comment on: ‘‘Magnetic birefringence measurement in hydrogen and deuterium gases’’
AD Buckingham, JH Williams
The Journal of Chemical Physics
(1987)
86
THE ANALYTIC EVALUATION OF 2ND-ORDER MOLLER-PLESSET (MP2) DIPOLE-MOMENT DERIVATIVES
ED Simandiras, RD Amos, NC Handy
Chemical Physics
(1987)
114
Isolation and solution structures of {PhCH2NLiCH2CH2NMe2}n and of the totally rigid dilithium compound, {o-LiC6H4CH2NLiCH2CH2NMe2}n; evidence for Li…o-HC interactions
D Barr, R Snaith, DS Wright, RE Mulvey, K Jeffrey, D Reed
Journal of Organometallic Chemistry
(1987)
325
Orientational order and solid-liquid coexistence in the two-dimensional Lennard-Jones system.
C Udink, D Frenkel
Phys Rev B Condens Matter
(1987)
35
The derivation of vibration-rotation kinetic energy operators, in internal coordinates
NC Handy
Molecular Physics
(1987)
61
Phenylthioallyl and phenylthiovinyl phosphine oxides: synthesis of 1-phenylthiobutadienes and a three-component synthesis of ketones
JI Grayson, S Warren, AT Zaslona
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
(1987)
Observation of dynamical precursors of the isotropic-nematic transition by computer simulation.
MP Allen, D Frenkel
Phys Rev Lett
(1987)
58
Partial enthalpies and related quantities in mixtures from computer simulation
P Sindzingre, G Ciccotti, C Massobrio, D Frenkel
Chemical Physics Letters
(1987)
136
Studies on the biosynthesis of hydroxymellein using 17 O n.m.r. and 2 H n.m.r. spectroscopy to determine the origin of the C-4 hydroxy group
C Abell, AC Sutkowski, J Staunton
Chemical Communications
(1987)
Tying glutathione in knots
RP MASON, S NAYLOR, DH WILLIAMS, JKM SANDERS, G MONETI
Biochemical Society Transactions
(1987)
15
Conversion of allosteric inhibition to activation in phosphofructokinase by protein engineering.
FT Lau, AR Fersht
Nature
(1987)
326
Radiative decay lifetimes of CH−2
M Okumura, LI Yeh, D Normand, JJH van den Biesen, SW Bustamente, YT Lee, TJ Lee, NC Handy, HF Schaefer
The Journal of Chemical Physics
(1987)
86
ESR and X-ray diffraction studies of diacyl peroxides in urea and aluminosilicate hosts
MD Hollingsworth, KDM Harris, W Jones, JM Thomas
Journal of Inclusion Phenomena and Macrocyclic Chemistry
(1987)
5
A method for the determination of the eigenvalues of a very large matrix: Application to vibrational energy levels
S Carter, NC Handy
Computer Physics Communications
(1987)
44
Determination of S-carboxymethylcysteine in syrup formulations by high-performance liquid chromatography
CK Melucci, GW Lyman, AD Bond, RN Johnson
J Chromatogr
(1987)
391
Hydrogen-bonded complexes involving HF and HCl: the effects of electron correlation and anharmonicity
RD Amos, JF Gaw, NC Handy, ED Simandiras, K Somasundram
Theoretica Chimica Acta
(1987)
71