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- Currently displaying 28761 - 28780 of 30846 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
Longitudinal NMR relaxation of 27Al nuclei in zeolites
Chemical Physics Letters
(1988)
150
189
(doi: 10.1016/0009-2614(88)80025-3)
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)
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)
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)
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)
Ab initio quantum chemistry on microcomputers
Journal of Molecular Structure: THEOCHEM
(1988)
170
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)
Determination of an Adlayer Bonding Transition by Surface Extended X-Ray-Absorption Fine-Structure Spectroscopy: Cesium Adsorbed on Ag {111}
Physical review letters
(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
Applied Catalysis
(1988)
42
l1
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 II. 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
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
The Journal of Chemical Physics
(1988)
89
1592
(doi: 10.1063/1.455156)
Hydration of tricalcium silicate with D2O
Journal of Materials Science
(1988)
7
861
(doi: 10.1007/bf00723787)
