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- Currently displaying 27901 - 27920 of 29767 publications
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the solvated electron
– The 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
– Phys Rev B Condens Matter
(1987)
36,
7741
(doi: 10.1103/physrevb.36.7741)
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)
Magic-angle-spinning NMR shows the aluminosilicate framework of ultramarine to be disordered
– Nature
(1987)
330,
56
(doi: 10.1038/330056a0)
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)
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
– Journal of the Chemical Society, Chemical Communications
(1987)
1625
(doi: 10.1039/c39870001625)
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)
THE IMPACT OF SUPERCOMPUTERS ON CHEMISTRY - INTERNATIONAL-CONFERENCE HELD AT UNIVERSITY-OF-LONDON, APRIL, 1987
– THEOR CHIM ACTA
(1987)
72,
233
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)
EFFECTIVE MOLARITIES FOR INTRAMOLECULAR HYDRIDE TRANSFER - REDUCTION BY 1,4-DIHYDROPYRIDINES OF THE NEIGHBORING ALPHA-KETOESTER GROUP
– GAZZ CHIM ITAL
(1987)
117,
667
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)
An important uncertainty in coupled chlorine-carbon dioxide studies of atmospheric ozone modification
– Nature
(1987)
329,
616
(doi: 10.1038/329616a0)
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)
Structure and dynamics of cobaltocene intercalated in tantalum disulphide investigated by 2 H n.m.r. spectroscopy
– Chemical Communications
(1987)
1560
(doi: 10.1039/C39870001560)
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)
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 NI(PR3)2(S2(S)PC6H4OME) PD(PR3)2(S2(S)PC6H4OME) PT(PR3)2(S2(S)PC6H4OME) FROM LAWESSONS REAGENT
– Transition Metal Chemistry
(1987)
12,
403
(doi: 10.1007/bf01171647)
A SYMPOSIUM ON INTERACTION-INDUCED SPECTRA IN DENSE FLUIDS AND DISORDERED SOLIDS, 10TH AND 11TH DECEMBER 1986 - GENERAL DISCUSSION
– J CHEM SOC FARAD T 2
(1987)
83,
1921
(doi: 10.1039/f29878301921)