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- Currently displaying 27361 - 27380 of 29403 publications
APPLICATIONS OF PATTERN-RECOGNITION AND RULE INDUCTION AS MEASURES OF MOLECULAR SIMILARITY APPLIED TO DRUG DISCOVERY
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1988)
196,
31
THE PREDICTION OF MICROWAVE AND INFRARED-SPECTRA OF TRIATOMIC-MOLECULES
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
LONGITUDINAL NMR RELAXATION OF AL-27 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)
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)
Ab initio quantum chemistry on microcomputers
– Computational and Theoretical Chemistry
(1988)
47,
197
(doi: 10.1016/0166-1280(88)80063-0)
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)
LONGITUDINAL NMR RELAXATION OF AL-27 IN ZEOLITES IS GOVERNED BY QUADRUPOLE INTERACTIONS WITH ADSORBED POLAR-MOLECULES AND EXCHANGEABLE CATIONS
– Chemical Communications
(1988)
1142
(doi: 10.1039/c39880001142)
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
– Physical review letters
(1988)
61,
974
(doi: 10.1103/physrevlett.61.974)
High selectivity catalysts for the oxidative coupling of methane Complex oxides with the rock salt structure
– Applied Catalysis
(1988)
42,
L1
MOLLER-PLESSET 3RD 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 .3. 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)
Recent Advances in Solid-State NMR of Zeolites
– Annual Review of Materials Science
(1988)
18,
189