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- Currently displaying 29221 - 29240 of 31130 publications
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the solvated electron
Journal of Chemical Physics
(1987)
87
5987
(doi: 10.1063/1.453522)
The analytic configuration interaction gradient method: The calculation of one electron properties
The Journal of Chemical Physics
(1987)
87
5976
(doi: 10.1063/1.453521)
Photoinduced changes of ac transport in amorphousAs2S3films
Physical Review B
(1987)
36
7741
(doi: 10.1103/physrevb.36.7741)
The preparation and X-ray structure of naphthalenedithiadiphosphetanedisulphide
Journal of the Chemical Society, Chemical Communications
(1987)
1741
(doi: 10.1039/C39870001741)
The structure and vibrational frequencies of the ArH3+ ion and its isotopomers
Chemical Physics Letters
(1987)
141
166
(doi: 10.1016/0009-2614(87)85003-0)
Prediction of electrostatic effects of engineering of protein charges.
Nature
(1987)
330
86
(doi: 10.1038/330086a0)
Magic-angle-spinning NMR shows the aluminosilicate framework of ultramarine to be disordered
Nature
(1987)
330
56
(doi: 10.1038/330056a0)
THE IMPACT OF SUPERCOMPUTERS ON CHEMISTRY - INTERNATIONAL-CONFERENCE HELD AT UNIVERSITY-OF-LONDON, APRIL, 1987
THEORETICA CHIMICA ACTA
(1987)
72
233
Combining transition state theory with quasiclassical trajectory calculations. III. Applications to the three-dimensional H + H2(ν) reaction
Chemical Physics
(1987)
117
421
(doi: 10.1016/0301-0104(87)80193-3)
EFFECTIVE MOLARITIES FOR INTRAMOLECULAR HYDRIDE TRANSFER - REDUCTION BY 1,4-DIHYDROPYRIDINES OF THE NEIGHBORING ALPHA-KETOESTER GROUP
GAZZ CHIM ITAL
(1987)
117
667
Preparation and use of tetra-n-butylammonium per-ruthenate (TBAP reagent) and tetra-n-propylammonium per-ruthenate (TPAP reagent) as new catalytic oxidants for alcohols
Chemical Communications
(1987)
1625
(doi: 10.1039/C39870001625)
Soft-sphere model for the glass transition in binary alloys: Pair structure and self-diffusion
Physical Review A
(1987)
36
4891
(doi: 10.1103/PhysRevA.36.4891)
Combining transition state theory with quasiclassical trajectory calculations: application to the nitrogen exchange reaction N+N2(v)
Chemical Physics Letters
(1987)
140
499
(doi: 10.1016/0009-2614(87)80476-1)
STRUCTURE AND DYNAMICS OF COBALTOCENE INTERCALATED IN TANTALUM DISULFIDE INVESTIGATED BY H-2 NMR-SPECTROSCOPY
Chemical Communications
(1987)
1560
(doi: 10.1039/c39870001560)
An important uncertainty in coupled chlorine-carbon dioxide studies of atmospheric ozone modification
Nature
(1987)
329
616
(doi: 10.1038/329616a0)
Structural and catalytic consequences of isomorphorus substitution of silicon by aluminium and vice versa in the framework of pentasil zeolites
Journal of the Chemical Society, Chemical Communications
(1987)
1542
(doi: 10.1039/c39870001542)
A theoretical determination of the rovibrational energy levels of the water molecule
The Journal of Chemical Physics
(1987)
87
4294
(doi: 10.1063/1.452887)
The influence of cross correlation on multiplet patterns in nuclear overhauser effect spectra
Journal of Magnetic Resonance (1969)
(1987)
75
96
(doi: 10.1016/0022-2364(87)90317-9)
The preparation of M(PR3)2 (S2(S)PC6H4OMe) (M=Ni, Pd, Pt) from Lawessons reagent
Transition Metal Chemistry
(1987)
12
403
(doi: 10.1007/bf01171647)
A regiocontrolled synthesis of allylstannanes
Journal of the Chemical Society, Perkin Transactions 1
(1987)
2259
(doi: 10.1039/p19870002259)
