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  • Currently displaying 28401 - 28420 of 30244 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 A3-PI CO
PB Davies, PA Martin
Chemical Physics Letters
(1987)
136
Velocity auto-correlation 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
Physical review letters
(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, (ORTHO-LIC6H4CH2NLICH2CH2NME2)N - EVIDENCE FOR LI ... ORTHO-HC INTERACTIONS
D Barr, R Snaith, DS Wright, RE Mulvey, K Jeffrey, D Reed
Journal of Organometallic Chemistry
(1987)
325
The derivation of vibration-rotation kinetic energy operators, in internal coordinates
NC Handy
Molecular Physics
(1987)
61
Orientational order and solid-liquid coexistence in the two-dimensional Lennard-Jones system
C Udink, D Frenkel
Physical Review B
(1987)
35
PHENYLTHIOALLYL AND PHENYLTHIOVINYL PHOSPHINE OXIDES - SYNTHESIS OF 1-PHENYLTHIOBUTADIENES AND A 3-COMPONENT SYNTHESIS OF KETONES
JI Grayson, S Warren, AT Zaslona
J CHEM SOC PERK T 1
(1987)
Observation of dynamical precursors of the isotropic-nematic transition by computer simulation.
MP Allen, D Frenkel
Physical review letters
(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 O-17 NMR AND H-2 NMR-SPECTROSCOPY TO DETERMINE THE ORIGIN OF THE C-4 HYDROXY GROUP
C Abell, AC Sutkowski, J Staunton
Chemical Communications
(1987)
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
Conversion of allosteric inhibition to activation in phosphofructokinase by protein engineering
FT Lau, AR Fersht
Nature
(1987)
326
Tying glutathione in knots
RP MASON, S NAYLOR, DH WILLIAMS, JKM SANDERS, G MONETI
Biochemical Society Transactions
(1987)
15
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
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
(1987)
5
Determination of S-carboxymethylcysteine in syrup formulations by high-performance liquid chromatography
CK Melucci, GW Lyman, AD Bond, RN Johnson
Journal of Chromatography A
(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