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- Currently displaying 27761 - 27780 of 29647 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)
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)
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)
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)
THE IMPACT OF SUPERCOMPUTERS ON CHEMISTRY - INTERNATIONAL-CONFERENCE HELD AT UNIVERSITY-OF-LONDON, APRIL, 1987
THEOR CHIM 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
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)
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)
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)
Synthesis of allenylsilanes from propargyl carbamates
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
(1987)
2269
(doi: 10.1039/p19870002269)
General introduction
Journal of the Chemical Society, Faraday Transactions 2
(1987)
83
1743
(doi: 10.1039/f29878301743)
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)
A regiocontrolled synthesis of allylstannanes
Journal of the Chemical Society, Perkin Transactions 1
(1987)
2259
(doi: 10.1039/p19870002259)
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)
THE ORIGIN OF CERTAIN FEATURES IN THE AUGER SPECTRUM OF RU(0001) - IMPURITIES, AUGER TRANSITIONS OR DIFFRACTION EFFECTS
Surface Science
(1987)
188
557
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)
Proline isomerism in staphylococcal nuclease characterized by NMR and site-directed mutagenesis
Nature
(1987)
329
266
(doi: 10.1038/329266a0)
Photoinduced electron transfer in pyromellitimide-bridged porphyrins
Chemical Physics
(1987)
116
429
(doi: 10.1016/0301-0104(87)80211-2)
