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  • Currently displaying 28061 - 28080 of 29856 publications
Author(s)
Publication title
Journal Name
Publication year
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
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 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
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 CH2-
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
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
Conversion of allosteric inhibition to activation in phosphofructokinase by protein engineering.
FT Lau, AR Fersht
Nature
(1987)
326
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 Handels quantum theory of 1/f noise
TM Nieuwenhuizen, D Frenkel, van Kampen NG
Phys Rev A Gen Phys
(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
Complete suppression of diagonal peaks in COSY spectra
J Cavanagh, J Keeler
Journal of Magnetic Resonance (1969)
(1987)
71
BOND LENGTH AND REACTIVITY - THE BECKMANN REARRANGEMENT .5. STRUCTURE OF 4-PHENYLCYCLOHEXANONE OXIME OMICRON-4-NITROBENZOATE ESTER AT 290-K
MR Edwards, AJ Kirby, PR Raithby, PG Jones
Acta Crystallographica Section C: Structural Chemistry
(1987)
43
Three-spin effects in broadband decoupling
AJ Shaka, PB Barker, R Freeman
Journal of Magnetic Resonance 1969
(1987)
71