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  • Currently displaying 28001 - 28020 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
Benchmark full configuration-interaction calculations on HF and NH2
CW Bauschlicher, SR Langhoff, PR Taylor, NC Handy, PJ Knowles
The Journal of Chemical Physics
(1986)
85
HIGH-RESOLUTION ELECTRON-MICROSCOPIC AND SPECTROSCOPIC STUDY OF SIPOS AND ITS INTERFACE WITH SI
J WONG, DA JEFFERSON, TG SPARROW, JM THOMAS, RH MILNE, A HOWIE, EF KOCH
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(1986)
133
Protein engineering of homodimeric tyrosyl-tRNA synthetase to produce active heterodimers.
WH Ward, DH Jones, AR Fersht
Journal of Biological Chemistry
(1986)
261
A NOVEL PREPARATION OF CHLOROFLUOROMETHANE
JR ANACONA, PB DAVIES, AH FERGUSON
CHEMISTRY & INDUSTRY
(1986)
On the accuracy of higher-order force constants calculated at the self-consistent field level of theory
JF Gaw, NC Handy
Chemical Physics Letters
(1986)
128
Quantitative analysis of structure–activity relationships in engineered proteins by linear free-energy relationships
AR Fersht, RJ Leatherbarrow, TNC Wells
Nature
(1986)
322
The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 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
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
ABINITIO 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
Study of electron solvation in polar solvents using path integral calculations
M Sprik, RW Impey, ML Klein
Journal of Statistical Physics
(1986)
43
Electron-ion interactions and ionization in a polar solvent.
M Sprik, RW Impey, ML Klein
Phys Rev Lett
(1986)
56
Rutherford backscattering study of the photodissolution of Ag in amorphous GeSe2
J Rennie, SR Elliott, C Jeynes
Applied Physics Letters
(1986)
48
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 of London. Series A, Mathematical and Physical 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