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  • Currently displaying 28781 - 28800 of 30445 publications
Author(s)
Publication title
Journal Name
Publication year
THE ANALYTIC CONFIGURATION-INTERACTION GRADIENT-METHOD - APPLICATION TO THE CYCLIC AND OPEN ISOMERS OF THE S-3 MOLECULE
JE Rice, RD Amos, NC Handy, TJ Lee, HF Schaefer
The Journal of Chemical Physics
(1986)
85
The syntheses of allylsilanes and vinylsilanes by silyl-cupration of allenes
I Fleming, FJ Pulido
Journal of the Chemical Society, Chemical Communications
(1986)
“False” transverse NOE enhancements in CAMELSPIN spectra
D Neuhaus, J Keeler
Journal of Magnetic Resonance (1969)
(1986)
68
The fine structure of high-resolution solid state 29Si NMR spectra of zeolites X and Y
X Liu, J Klinowski, JM Thomas
Chemical Physics Letters
(1986)
127
Commercial samples of subtilisin BPN′
AJ RUSSELL, AR FERSHT
Nature
(1986)
321
Solid state 31 P n.m.r. spectroscopy of surface-attached triosmium clusters
VD Alexiev, NJ Clayden, SL Cook, CM Dobson, J Evans, DJ Smith
Journal of the Chemical Society Chemical Communications
(1986)
A numerical phasing technique for application to one-dimensional NMR spectra
LF Gladden, SR Elliott
Journal of Magnetic Resonance (1969)
(1986)
68
Translational molecular motion and cages in computer molecular liquids
RM Lynden-Bell, DJC Hutchinson, MJ Doyle
Molecular Physics
(1986)
58
Study of electron solvation in polar solvents using path integral calculations
M Sprik, RW Impey, ML Klein
Journal of Statistical Physics
(1986)
43
Ab initio calculation for properties of hydrogen bonded complexes H3N?HCN, HCN?HCN, HCN?HF, H2O?HF
K Somasundram, RD Amos, NC Handy
Theoretica Chimica Acta
(1986)
69
RUTHERFORD BACKSCATTERING STUDY OF THE PHOTODISSOLUTION OF AG IN AMORPHOUS GESE2
J Rennie, SR Elliott, C Jeynes
Applied Physics Letters
(1986)
48
Electron-Ion Interactions and Ionization in a Polar Solvent
M Sprik, RW Impey, ML Klein
Phys Rev Lett
(1986)
56
Detection of the inverted region in the photo-induced intramolecular electron transfer of capped porphyrins
MP Irvine, RJ Harrison, GS Beddard, P Leighton, JKM Sanders
Chemical Physics
(1986)
104
Structure and activity of the tyrosy1-tRNA synthetase: the hydrogen bond in catalysis and specificity
AR Fersht, RJ Leatherbarrow, TNC Wells
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(1986)
317
An accurate ab initio calculation of the dipole moment function of GeH
H-J Werner, AD Buckingham
Chemical Physics Letters
(1986)
125
Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus–Yevick theory
D Frenkel, RJ Vos, CG de Kruif, A Vrij
Journal of Chemical Physics
(1986)
84
Hydrothermal isomorphous insertion of aluminium into the framework of zeolite Y: A convenient method of modifying the siting of Al and Si in faujastic catalysts
X Liu, J Klinowski, JM Thomas
Journal of the Chemical Society, Chemical Communications
(1986)
The diagonal correction to the Born–Oppenheimer approximation: Its effect on the singlet–triplet splitting of CH2 and other molecular effects
NC Handy, Y Yamaguchi, HF Schaefer
The Journal of Chemical Physics
(1986)
84
CHLORINE AND ALKALI PROMOTERS IN ETHYLENE EPOXIDATION
RM LAMBERT, SA TAN, RB GRANT
ABSTR PAP AM CHEM S
(1986)
191
ELECTION SOLVATION IN POLAR-SOLVENTS
M KLEIN, RW IMPEY, M SPRIK
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1986)
191