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- Currently displaying 28121 - 28140 of 30212 publications
Quantum chemistry in the University of Cambridge
International Reviews in Physical Chemistry
(1988)
7
351
(doi: 10.1080/01442358809353217)
Rate of the reaction: $\text {OH}+\text{CO}\longrightarrow \text{CO}_2+\text H$ at interstellar temperatures
Monthly Notices of the Royal Astronomical Society
(1988)
234
1059
(doi: 10.1093/mnras/234.4.1059)
A pulse for all seasons. Fourier transform spectra without a phase gradient
Journal of Magnetic Resonance (1969)
(1988)
79
561
(doi: 10.1016/0022-2364(88)90092-3)
A spectral meteorological model on the ICL DAP
Parallel Comput.
(1988)
8
121
(doi: 10.1016/0167-8191(88)90115-9)
THE PREDICTION OF MICROWAVE AND INFRARED-SPECTRA OF TRIATOMIC-MOLECULES
ABSTR PAP AM CHEM S
(1988)
196
50
THEORETICAL-STUDIES OF ALDOL STEREOSELECTIVITY - THE DEVELOPMENT OF A FORCE-FIELD MODEL FOR ENOL BORINATES AND THE INVESTIGATION OF CHIRAL ENOLATE PI-FACE SELECTIVITY
ABSTR PAP AM CHEM S
(1988)
196
{352-ORGN}
APPLICATIONS OF PATTERN-RECOGNITION AND RULE INDUCTION AS MEASURES OF MOLECULAR SIMILARITY APPLIED TO DRUG DISCOVERY
ABSTR PAP AM CHEM S
(1988)
196
31
Longitudinal NMR relaxation of 27Al nuclei in zeolites
Chemical Physics Letters
(1988)
150
189
(doi: 10.1016/0009-2614(88)80025-3)
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
Chemical Physics Letters
(1988)
149
565
(doi: 10.1016/0009-2614(88)80384-1)
Structure and properties of rare earth overlayers and ultra-thin alloy films on single crystal copper: Nd on Cu(111)
Surface Science
(1988)
203
307
(doi: 10.1016/0039-6028(88)90085-4)
Ab initio quantum chemistry on microcomputers
Journal of Molecular Structure: THEOCHEM
(1988)
47
197
(doi: 10.1016/0166-1280(88)80063-0)
A VARIATIONAL METHOD FOR THE DETERMINATION OF THE VIBRATIONAL (J=0) ENERGY-LEVELS OF ACETYLENE, USING A HAMILTONIAN IN INTERNAL COORDINATES
Computer Physics Communications
(1988)
51
49
(doi: 10.1016/0010-4655(88)90061-6)
Molecular model for aqueous ferrous–ferric electron transfer
The Journal of Chemical Physics
(1988)
89
3248
(doi: 10.1063/1.454929)
The accurate calculation of molecular properties by ab initio methods
Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics
(1988)
84
1247
(doi: 10.1039/f29888401247)
Determination of an adlayer bonding transition by surface extended x-ray-absorption fine-structure spectroscopy: Cesium adsorbed on Ag{111}
Phys Rev Lett
(1988)
61
1112
(doi: 10.1103/physrevlett.61.1112)
Solid-state NMR studies of the geometry of brønsted acid sites in zeolitic catalysts
Chemical Physics Letters
(1988)
149
355
(doi: 10.1016/0009-2614(88)85107-8)
Experimental Evidence for an Inorganic Molecular Glass
Phys Rev Lett
(1988)
61
974
(doi: 10.1103/PhysRevLett.61.974)
Mo/ller–Plesset third order calculations with large basis sets
The Journal of Chemical Physics
(1988)
89
2107
(doi: 10.1063/1.455107)
A cellular ligand-field model for' l-l’ spectral intensities III. Correlations of parameters with structure and bonding
Molecular Physics
(1988)
64
825
(doi: 10.1080/00268978800100573)
A cellular ligand-field model for ‘l-l’ spectral intensities
Molecular Physics
(1988)
64
793
(doi: 10.1080/00268978800100563)
