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  • Currently displaying 28621 - 28640 of 30706 publications
Author(s)
Publication title
Journal Name
Publication year
A pulse for all seasons. Fourier transform spectra without a phase gradient
R Freeman, J Friedrich, W Xi-li
Journal of Magnetic Resonance 1969
(1988)
79
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1988)
196
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
LONGITUDINAL NMR RELAXATION OF AL-27 NUCLEI IN ZEOLITES
J Haase, H Pfeifer, W Oehme, J Klinowski
Chemical Physics Letters
(1988)
150
RATE CONSTANTS FOR THE REACTIONS CN(V=0), CN(V=1)+H2, D2-]HCN, DCN+H, D BETWEEN 295-K 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
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
LONGITUDINAL NMR RELAXATION OF AL-27 IN ZEOLITES IS GOVERNED BY QUADRUPOLE INTERACTIONS WITH ADSORBED POLAR-MOLECULES AND EXCHANGEABLE CATIONS
J Haase, H Pfeifer, W Oehme, J Klinowski
Journal of the Chemical Society, 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
Ab initio quantum chemistry on microcomputers
SM Colwell, NC Handy
Computational and Theoretical Chemistry
(1988)
47
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
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
Physical review letters
(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
RK Ungar, X Zhang, RM Lambert
Applied Catalysis
(1988)
42
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
A cellular ligand-field model for ‘l-l’ spectral intensities
CA Brown, MJ Duer, M Gerloch, RF McMeeking
Molecular Physics
(1988)
64
New directions in gas scattering
DA King
Nature
(1988)
334