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  • Currently displaying 27421 - 27440 of 29256 publications
Author(s)
Publication title
Journal Name
Publication year
MODEL FOR THE ELECTRICAL DOPING OF CHALCOGENIDE GLASSES BY BISMUTH.
SR Elliott
Disord Semicond
(1987)
Closed-shell structures and the building game
DJ Wales
Chemical Physics Letters
(1987)
141
Photoinduced changes of ac transport in amorphous As2S
K Shimakawa, K Hattori, SR Elliott
Phys Rev B Condens Matter
(1987)
36
The analytic configuration interaction gradient method: The calculation of one electron properties
APL Rendell, GB Bacskay, NS Hush, NC Handy
The Journal of Chemical Physics
(1987)
87
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the solvated electron
M Sprik, ML Klein
Journal of Chemical Physics
(1987)
87
THE STRUCTURE AND VIBRATIONAL FREQUENCIES OF THE ARH3+ ION AND ITS ISOTOPOMERS
ED Simandiras, JF Gaw, NC Handy
Chemical Physics Letters
(1987)
141
Prediction of electrostatic effects of engineering of protein charges.
MJ Sternberg, FR Hayes, AJ Russell, PG Thomas, AR Fersht
Nature
(1987)
330
Combining transition state theory with quasiclassical trajectory calculations. III. Applications to the three-dimensional H + H2(ν) reaction
RJ Frost, IWM Smith
Chemical Physics
(1987)
117
Soft-sphere model for the glass transition in binary alloys: Pair structure and self-diffusion.
B Bernu, JP Hansen, Y Hiwatari, G Pastore
Physical Review A
(1987)
36
THE IMPACT OF SUPERCOMPUTERS ON CHEMISTRY - INTERNATIONAL-CONFERENCE HELD AT UNIVERSITY-OF-LONDON, APRIL, 1987
NC HANDY
THEOR CHIM ACTA
(1987)
72
EFFECTIVE MOLARITIES FOR INTRAMOLECULAR HYDRIDE TRANSFER - REDUCTION BY 1,4-DIHYDROPYRIDINES OF THE NEIGHBORING ALPHA-KETOESTER GROUP
AJ KIRBY, DR WALWYN
GAZZ CHIM ITAL
(1987)
117
COMBINING TRANSITION-STATE THEORY WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS - APPLICATION TO THE NITROGEN EXCHANGE-REACTION N+N2(NU) .4.
RJ Frost, IWM Smith
Chemical Physics Letters
(1987)
140
The influence of cross correlation on multiplet patterns in nuclear overhauser effect spectra
J Keeler, F Sánchez-Ferrando
Journal of Magnetic Resonance (1969)
(1987)
75
A theoretical determination of the rovibrational energy levels of the water molecule
S Carter, NC Handy
The Journal of Chemical Physics
(1987)
87
A regiocontrolled synthesis of allylstannanes
I Fleming, M Rowley
J CHEM SOC PERK T 1
(1987)
A SYMPOSIUM ON INTERACTION-INDUCED SPECTRA IN DENSE FLUIDS AND DISORDERED SOLIDS, 10TH AND 11TH DECEMBER 1986 - GENERAL INTRODUCTION
AD Buckingham
Journal of the Chemical Society, Faraday Transactions 2
(1987)
83
A SYMPOSIUM ON INTERACTION-INDUCED SPECTRA IN DENSE FLUIDS AND DISORDERED SOLIDS, 10TH AND 11TH DECEMBER 1986 - GENERAL DISCUSSION
M ZOPPI, AD BUCKINGHAM, T KEYES, IM DESCHEPPER, RA HUIJTS, J YARWOOD, J VANDERELSKEN, A GERSCHEL, T DORFMULLER, J JONAS, M SAMPOLI, F BAGLIN, D STEELE, RM PICK, H VERSMOLD, M GOLOMBOK, AD BUCKINGHAM, PA MADDEN, ML KLEIN, RM LYNDENBELL, RL MCGREEVY, J BOARD
J CHEM SOC FARAD T 2
(1987)
83
Synthesis of allenylsilanes from propargyl carbamates
I Fleming, K Takaki, AP Thomas
Journal of the Chemical Society Perkin Transactions 1
(1987)
The preparation of M(PR3)2 (S2(S)PC6H4OMe) (M=Ni, Pd, Pt) from Lawessons reagent
PT Wood, JD Woollins
Transition Metal Chemistry
(1987)
12
The preparation of M(PR3)2 (S2(S)PC6H4OMe) (M=Ni, Pd, Pt) from Lawessons reagent
PT Wood, JD Woollins
Transition Metal Chemistry
(1987)
12