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  • Currently displaying 27421 - 27440 of 29308 publications
Author(s)
Publication title
Journal Name
Publication year
ARTIFACTS IN THE APPLICATION OF LINEAR FREE-ENERGY ANALYSIS
AR FERSHT
PROTEIN ENGINEERING
(1987)
1
MODEL FOR THE ELECTRICAL DOPING OF CHALCOGENIDE GLASSES BY BISMUTH.
SR Elliott
Disord Semicond
(1987)
SYNTHESIS, CHEMISTRY, ELECTRONIC PROPERTIES, AND MAGNETISM IN THE Y-Ba-Cu-O SUPERCONDUCTOR SYSTEMS. .
R Jones, MF Ashby, AM Campbell, PP Edwards, MR Harrison, AD Hibbs, DA Jefferson, AI Kirkland, T Thanyasiri, E Sinn
ACS Symposium Series
(1987)
Closed-shell structures and the building game
DJ Wales
Chem. Phys. Lett.
(1987)
141
Tests of photochemical and dynamical theories from satellite data
JA Pyle, AM Zavody, LJ Gray
Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences
(1987)
323
Photoinduced changes of ac transport in amorphousAs2S3films
K Shimakawa, K Hattori, SR Elliott
Phys Rev B Condens Matter
(1987)
36
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the solvated electron
M Sprik, ML Klein
The Journal of Chemical Physics
(1987)
87
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
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
THEORETICA CHIMICA ACTA
(1987)
72
EFFECTIVE MOLARITIES FOR INTRAMOLECULAR HYDRIDE TRANSFER - REDUCTION BY 1,4-DIHYDROPYRIDINES OF THE NEIGHBORING ALPHA-KETOESTER GROUP
AJ KIRBY, DR WALWYN
GAZZETTA CHIMICA ITALIANA
(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
Journal of the Chemical Society, Perkin Transactions 1
(1987)
General introduction
AD Buckingham
Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics
(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