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  • Currently displaying 28081 - 28100 of 29948 publications
Author(s)
Publication title
Journal Name
Publication year
Biosynthesis of the natural porphyrins: proof that hydroxymethylbilane synthase (porphobilinogen deaminase) uses a novel binding group in its catalytic action
GJ Hart, AD Miller, FJ Leeper, AR Battersby
Chemical Communications
(1987)
Closed-shell structures and the building game
DJ Wales
Chemical Physics Letters
(1987)
141
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
Photoinduced changes of ac transport in amorphousAs2S3films
K Shimakawa, K Hattori, SR Elliott
Physical Review B
(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
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
Synthesis of bipyridyl-, viologen-, and quinone-bridged porphyrins
P Leighton, JKM Sanders
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
(1987)
THE IMPACT OF SUPERCOMPUTERS ON CHEMISTRY - INTERNATIONAL-CONFERENCE HELD AT UNIVERSITY-OF-LONDON, APRIL, 1987
NC HANDY
THEOR CHIM ACTA
(1987)
72
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
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
A theoretical determination of the rovibrational energy levels of the water molecule
S Carter, NC Handy
The Journal of Chemical Physics
(1987)
87
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
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 NI(PR3)2(S2(S)PC6H4OME) PD(PR3)2(S2(S)PC6H4OME) PT(PR3)2(S2(S)PC6H4OME) FROM LAWESSONS REAGENT
PT Wood, JD Woollins
Transition Metal Chemistry
(1987)
12
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
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