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- Currently displaying 27901 - 27920 of 29954 publications
A pulse for all seasons. Fourier transform spectra without a phase gradient
Journal of Magnetic Resonance 1969
(1988)
79
561
(doi: 10.1016/0022-2364(88)90092-3)
APPLICATIONS OF PATTERN-RECOGNITION AND RULE INDUCTION AS MEASURES OF MOLECULAR SIMILARITY APPLIED TO DRUG DISCOVERY
ABSTR PAP AM CHEM S
(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(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)
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)
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)
170
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}
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)
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 II. Applications within the d block
Molecular Physics
(1988)
64
793
(doi: 10.1080/00268978800100563)
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)
Hydration of tricalcium silicate with D2O
Journal of Materials Science Letters
(1988)
7
861
(doi: 10.1007/BF00723787)
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
Journal of Chemical Physics
(1988)
89
1592
(doi: 10.1063/1.455156)
