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  • Currently displaying 28221 - 28240 of 30056 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
Orientational order and solid-liquid coexistence in the two-dimensional Lennard-Jones system.
C Udink, D Frenkel
Physical review. B, Condensed 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 17O n.m.r. and 2H n.m.r. spectroscopy to determine the origin of the C-4 hydroxy group
C Abell, AC Sutkowski, J Staunton
Journal of the Chemical Society, Chemical Communications
(1987)
Conversion of allosteric inhibition to activation in phosphofructokinase by protein engineering.
FT Lau, AR Fersht
Nature
(1987)
326
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
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
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
Objections to Handel’s 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
Electrostatic effects on modification of charged groups in the active site cleft of subtilisin by protein engineering.
AJ Russell, PG Thomas, AR Fersht
J Mol Biol
(1987)
193
Three-spin effects in broadband decoupling
AJ Shaka, PB Barker, R Freeman
Journal of Magnetic Resonance (1969)
(1987)
71
Velocity-dependent property surfaces and the theory of vibrational circular dichroism
AD Buckingham, PW Fowler, PA Galwas
Chemical Physics
(1987)
112