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  • Currently displaying 27241 - 27260 of 29290 publications
Author(s)
Publication title
Journal Name
Publication year
Ab initio quantum chemistry on microcomputers
SM Colwell, NC Handy
Journal of Molecular Structure: THEOCHEM
(1988)
170
Molecular model for aqueous ferrous-ferric electron transfer
RA Kuharski, JS Bader, D Chandler, M Sprik, ML Klein, RW Impey
Journal of Chemical Physics
(1988)
89
The accurate calculation of molecular properties by ab initio methods
RD Amos, JF Gaw, NC Handy, S Carter
Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics
(1988)
84
Determination of an adlayer bonding transition by surface extended X-ray-absorption fine-structure spectroscopy: Cesium adsorbed on Ag {111}
GM Lamble, RS Brooks, DA King, D Norman
Phys Rev Lett
(1988)
61
Solid-state NMR studies of the geometry of brønsted acid sites in zeolitic catalysts
D Freude, J Klinowski, H Hamdan
Chemical Physics Letters
(1988)
149
Experimental evidence for an inorganic molecular glass.
DJ Verrall, SR Elliott
Phys Rev Lett
(1988)
61
MOLLER-PLESSET 3RD ORDER CALCULATIONS WITH LARGE BASIS-SETS
IL Alberts, NC Handy
The Journal of Chemical Physics
(1988)
89
A cellular ligand-field model for ‘l-l’ spectral intensities
CA Brown, MJ Duer, M Gerloch, RF McMeeking
Molecular Physics
(1988)
64
A cellular ligand-field model for ‘l-l’ spectral intensities
CA Brown, MJ Duer, M Gerloch, RF McMeeking
Molecular Physics
(1988)
64
Recent Advances in Solid-State NMR of Zeolites
J Klinowski
Annual Review of Materials Research
(1988)
18
HYDRATION OF TRICALCIUM SILICATE WITH D2O
TC King, CM Dobson, SA Rodger
Journal of Materials Science Letters
(1988)
7
New directions in gas scattering
DA King
Nature
(1988)
334
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
M Sprik, ML Klein
Journal of Chemical Physics
(1988)
89
TYROSYL-TRANSFER RNA-SYNTHETASE ACTS AS AN ASYMMETRIC DIMER IN CHARGING TRANSFER-RNA - A RATIONALE FOR HALF-OF-THE-SITES ACTIVITY
WHJ WARD, AR FERSHT
BIOCHEMISTRY
(1988)
27
Structure of (–)-quinic acid
C Abell, FH Allen, TDH Bugg, MJ Doyle, PR Raithby
Acta Crystallographica Section C Crystal Structure Communications
(1988)
44
Structure of (–)‐3‐dehydroshikimic acid monohydrate
C Abell, FH Allen, TDH Bugg, MJ Doyle, PR Raithby
Acta Crystallographica Section C Crystal Structure Communications
(1988)
44
Structure of sodium (–)-shikimate dihydrate
C Abell, FH Allen, TDH Bugg, MJ Doyle, PR Raithby
Acta Crystallographica Section C Crystal Structure Communications
(1988)
44
Infrared diode laser spectra of MgH and MgD ( X 2Σ+)
B Lemoine, C Demuynck, JL Destombes, PB Davies
The Journal of Chemical Physics
(1988)
89
The anharmonic potential function of methylene fluoride. SCF a b i n i t i o computations of the cubic force field and analysis of vibration–rotation interaction constants
JF Gaw, NC Handy, P Palmieri, AD Esposti
The Journal of Chemical Physics
(1988)
89
Reacting to change
IWM Smith
Nature
(1988)
334