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- Currently displaying 27241 - 27260 of 29256 publications
THE PREDICTION OF MICROWAVE AND INFRARED-SPECTRA OF TRIATOMIC-MOLECULES
ABSTR PAP AM CHEM S
(1988)
196
50
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 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
Journal of Molecular Structure: THEOCHEM
(1988)
47
197
(doi: 10.1016/0166-1280(88)80063-0)
Molecular model for aqueous ferrous–ferric electron transfer
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}.
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
Phys Rev Lett
(1988)
61
974
(doi: 10.1103/PhysRevLett.61.974)
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 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)
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)
TYROSYL-TRANSFER RNA-SYNTHETASE ACTS AS AN ASYMMETRIC DIMER IN CHARGING TRANSFER-RNA - A RATIONALE FOR HALF-OF-THE-SITES ACTIVITY
BIOCHEMISTRY-US
(1988)
27
5525
(doi: 10.1021/bi00415a021)
