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  • Currently displaying 29001 - 29020 of 31091 publications
Author(s)
Publication title
Journal Name
Publication year
Quantum chemistry in the University of Cambridge
NC Handy
International Reviews in Physical Chemistry
(1988)
7
Quantitative determination of aluminium in zeolites by solid-state 27Al n.m.r. spectroscopy
PP Man, J Klinowski
Chemical Communications
(1988)
Rate of the reaction: $\text {OH}+\text{CO}\longrightarrow \text{CO}_2+\text H$ at interstellar temperatures
IWM Smith
Monthly Notices of the Royal Astronomical Society
(1988)
234
THEORETICAL-STUDIES OF ALDOL STEREOSELECTIVITY - THE DEVELOPMENT OF A FORCE-FIELD MODEL FOR ENOL BORINATES AND THE INVESTIGATION OF CHIRAL ENOLATE PI-FACE SELECTIVITY
J GOODMAN, I PATERSON, S KAHN
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1988)
196
THE PREDICTION OF MICROWAVE AND INFRARED-SPECTRA OF TRIATOMIC-MOLECULES
NC HANDY, S CARTER, P ROSMUS, J SENEKOWITSCH
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1988)
196
APPLICATIONS OF PATTERN-RECOGNITION AND RULE INDUCTION AS MEASURES OF MOLECULAR SIMILARITY APPLIED TO DRUG DISCOVERY
RC GLEN, DJ LIVINGSTONE, BD HUDSON, JN CHAMPNESS, VS ROSE
ABSTR PAP AM CHEM S
(1988)
196
Longitudinal NMR relaxation of 27Al nuclei in zeolites
J Haase, H Pfeifer, W Oehme, J Klinowski
Chemical Physics Letters
(1988)
150
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
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
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
Longitudinal n.m.r. relaxation of aluminium-27 in zeolites is governed by quadrupole interactions with adsorbed polar molecules and exchangeable cations
J Haase, H Pfeifer, W Oehme, J Klinowski
Chemical Communications
(1988)
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
(1988)
84
Ab initio quantum chemistry on microcomputers
SM Colwell, NC Handy
Journal of Molecular Structure: THEOCHEM
(1988)
170
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
Mo/ller–Plesset third order calculations with large basis sets
IL Alberts, NC Handy
The Journal of Chemical Physics
(1988)
89
High selectivity catalysts for the oxidative coupling of methane. Complex oxides with the rock salt structure
RK Ungar, X Zhang, RM Lambert
Applied Catalysis
(1988)
42
A CELLULAR LIGAND-FIELD MODEL FOR L-L SPECTRAL INTENSITIES .3. CORRELATIONS OF PARAMETERS WITH STRUCTURE AND BONDING
CA Brown, MJ Duer, M Gerloch, RF McMeeking
Molecular Physics
(1988)
64