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  • Currently displaying 27561 - 27580 of 29634 publications
Author(s)
Publication title
Journal Name
Publication year
Structure and properties of rare earth overlayers and ultra-thin alloy films on single crystal copper: Nd on Cu(111)
RM Nix, RW Judd, RM Lambert
Surface Science
(1988)
203
Rate constants for the reactions CN(ν=0), CN(ν=1)+H2, D2→HCN, DCN+H, D between 295 and 768 K, and comparisons with transition state theory calculations
IR Sims, IWM Smith
Chemical Physics Letters
(1988)
149
A variational method for the determination of the vibrational (J = 0) energy levels of acetylene, using a Hamiltonian in internal coordinates
S Carter, NC Handy
Computer Physics Communications
(1988)
51
Ab initio quantum chemistry on microcomputers
SM Colwell, NC Handy
Journal of Molecular Structure: THEOCHEM
(1988)
47
The accurate calculation of molecular properties by ab initio methods
RD Amos, JF Gaw, NC Handy, S Carter
J CHEM SOC FARAD T 2
(1988)
84
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
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
Physical review letters
(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 .2. APPLICATIONS WITHIN THE D-BLOCK
CA Brown, MJ Duer, M Gerloch, RF McMeeking
Molecular Physics
(1988)
64
A cellular ligand-field model for' l-l’ spectral intensities III. Correlations of parameters with structure and bonding
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 Science
(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 sodium (–)‐shikimate dihydrate
C Abell, FH Allen, TDH Bugg, MJ Doyle, PR Raithby
Acta Crystallographica Section C: Structural Chemistry
(1988)
44
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: Structural Chemistry
(1988)
44