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- Currently displaying 27981 - 28000 of 29853 publications
A molecular dynamics study of the rotator phase of t-butyl bromide
Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics
(1987)
83
2097
(doi: 10.1039/f29878302097)
Structural and catalytic consequences of isomorphorus substitution of silicon by aluminium and vice versa in the framework of pentasil zeolites
Chemical Communications
(1987)
1542
(doi: 10.1039/C39870001542)
Alkali metal, chlorine and other promoters in the silver-catalysed selective oxidation of ethylene
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases
(1987)
83
2035
(doi: 10.1039/f19878302035)
On the ultrastructure and morphology of colloidal cobalt ferrite
Journal of the Chemical Society Chemical Communications
(1987)
365
(doi: 10.1039/c39870000365)
Biosynthesis of the natural porphyrins: proof that hydroxymethylbilane synthase (porphobilinogen deaminase) uses a novel binding group in its catalytic action
Journal of the Chemical Society Chemical Communications
(1987)
1762
(doi: 10.1039/c39870001762)
Closed-shell structures and the building game
Chemical Physics Letters
(1987)
141
478-484
(doi: 10.1016/0009-2614(87)85064-9)
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)
Photoinduced changes of ac transport in amorphous As2S.
Physical Review B
(1987)
36
7741
(doi: 10.1103/physrevb.36.7741)
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)
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)
Synthesis of bipyridyl-, viologen-, and quinone-bridged porphyrins
Journal of the Chemical Society, Perkin Transactions 1
(1987)
2385
(doi: 10.1039/p19870002385)
COMBINING TRANSITION-STATE THEORY WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS .3. APPLICATIONS TO THE 3-DIMENSIONAL H+H-2(NU) REACTION
Chemical Physics
(1987)
117
421
(doi: 10.1016/0301-0104(87)80193-3)
THE IMPACT OF SUPERCOMPUTERS ON CHEMISTRY - INTERNATIONAL-CONFERENCE HELD AT UNIVERSITY-OF-LONDON, APRIL, 1987
THEORETICA CHIMICA ACTA
(1987)
72
233
EFFECTIVE MOLARITIES FOR INTRAMOLECULAR HYDRIDE TRANSFER - REDUCTION BY 1,4-DIHYDROPYRIDINES OF THE NEIGHBORING ALPHA-KETOESTER GROUP
GAZZETTA CHIMICA ITALIANA
(1987)
117
667
Soft-sphere model for the glass transition in binary alloys: Pair structure and self-diffusion.
Phys Rev A Gen Phys
(1987)
36
4891
(doi: 10.1103/physreva.36.4891)
COMBINING TRANSITION-STATE THEORY WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS - APPLICATION TO THE NITROGEN EXCHANGE-REACTION N+N2(NU) .4.
Chemical Physics Letters
(1987)
140
499
(doi: 10.1016/0009-2614(87)80476-1)
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)
