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- Currently displaying 28641 - 28660 of 30729 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 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)
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)
The accurate calculation of molecular properties by ab initio methods
Journal of the Chemical Society, Faraday Transactions 2
(1988)
84
1247
(doi: 10.1039/f29888401247)
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)
LONGITUDINAL NMR RELAXATION OF AL-27 IN ZEOLITES IS GOVERNED BY QUADRUPOLE INTERACTIONS WITH ADSORBED POLAR-MOLECULES AND EXCHANGEABLE CATIONS
Journal of the Chemical Society, 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}
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 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 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 Science
(1988)
18
189
Hydration of tricalcium silicate with D2O
Journal of Materials Science
(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
The Journal of Chemical Physics
(1988)
89
1592
(doi: 10.1063/1.455156)
