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  • Currently displaying 27721 - 27740 of 29614 publications
Author(s)
Publication title
Journal Name
Publication year
PHOTOINDUCED CHANGES OF AC TRANSPORT IN AMORPHOUS AS2S3 FILMS
K Shimakawa, K Hattori, SR Elliott
Physical review. B, Condensed matter
(1987)
36
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 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 QUASI-CLASSICAL TRAJECTORY CALCULATIONS .3. APPLICATIONS TO THE 3-DIMENSIONAL H+H-2(NU) REACTION
RJ Frost, IWM Smith
Chemical Physics
(1987)
117
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
THE IMPACT OF SUPERCOMPUTERS ON CHEMISTRY - INTERNATIONAL-CONFERENCE HELD AT UNIVERSITY-OF-LONDON, APRIL, 1987
NC HANDY
THEORETICA CHIMICA ACTA
(1987)
72
Soft-sphere model for the glass transition in binary alloys: Pair structure and self-diffusion.
B Bernu, JP Hansen, Y Hiwatari, G Pastore
Phys Rev A Gen Phys
(1987)
36
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 SYMPOSIUM ON INTERACTION-INDUCED SPECTRA IN DENSE FLUIDS AND DISORDERED SOLIDS, 10TH AND 11TH DECEMBER 1986 - GENERAL INTRODUCTION
AD Buckingham
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)
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
A regiocontrolled synthesis of allylstannanes
I Fleming, M Rowley
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
(1987)
The origin of certain features in the auger spectrum of Ru(0001): Impurities, auger transitions or diffraction effects?
JPS Badyal, AJ Gellman, RM Lambert
Surface Science
(1987)
188
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
Proline isomerism in staphylococcal nuclease characterized by NMR and site-directed mutagenesis.
PA Evans, CM Dobson, RA Kautz, G Hatfull, RO Fox
Nature
(1987)
329