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  • Currently displaying 28141 - 28160 of 29940 publications
Author(s)
Publication title
Journal Name
Publication year
Factorization of the Triplet Direct Correlation Function in Dense Fluids
JL Barrat, JP Hansen, G Pastore
Physical review letters
(1987)
58
Velocity auto-correlation functions in a 2d lattice Lorentz gas: Comparison of theory and computer simulation
D Frenkel
Physics Letters A
(1987)
121
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 second-order møller-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
Phys Rev B Condens Matter
(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 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)
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
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
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
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
Objections to Handel’s quantum theory of1/fnoise
TM Nieuwenhuizen, D Frenkel, van Kampen NG
Physical review. A, General physics
(1987)
35
The electrostatic interactions in van der Waals complexes involving aromatic molecules
SL Price, AJ Stone
The Journal of Chemical Physics
(1987)
86
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
Electrostatic effects on modification of charged groups in the active site cleft of subtilisin by protein engineering
AJ Russell, PG Thomas, AR Fersht
Journal of Molecular Biology
(1987)
193