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- Currently displaying 27801 - 27820 of 29853 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
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
THE PREDICTION OF MICROWAVE AND INFRARED-SPECTRA OF TRIATOMIC-MOLECULES
ABSTR PAP AM CHEM S
(1988)
196
50
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(ν=0), CN(ν=1)+H2, D2→HCN, DCN+H, D between 295 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)
The accurate calculation of molecular properties by ab initio methods
J CHEM SOC FARAD T 2
(1988)
84
1247
(doi: 10.1039/f29888401247)
Molecular model for aqueous ferrous-ferric electron transfer
The Journal of Chemical Physics
(1988)
89
3248
(doi: 10.1063/1.454929)
Ab initio quantum chemistry on microcomputers
Computational and Theoretical Chemistry
(1988)
47
197
(doi: 10.1016/0166-1280(88)80063-0)
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)
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 .2. APPLICATIONS WITHIN THE D-BLOCK
Molecular Physics
(1988)
64
793
(doi: 10.1080/00268978800100563)
Recent Advances in Solid-State NMR of Zeolites
Annual Review of Materials Research
(1988)
18
189
HYDRATION OF TRICALCIUM SILICATE WITH D2O
Journal of Materials Science Letters
(1988)
7
861
(doi: 10.1007/BF00723787)
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
Journal of Chemical Physics
(1988)
89
1592
(doi: 10.1063/1.455156)
