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  • Currently displaying 24481 - 24500 of 29261 publications
Author(s)
Publication title
Journal Name
Publication year
Development and validation of a genetic algorithm for flexible ligand docking
G Jones, P Willett, RC Glen, AR Leach, R Taylor
ABSTR PAP AM CHEM S
(1997)
214
Utilizing structural properties of G-Protein coupled receptor ligands to design small molecule leads
AM Ferguson, RC Glen, MS Lawless, MA Hermsmeier, AA Tymiak
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1997)
214
The structure of the surfactant-water interface for sodium octanoate micelles: A molecular dynamics study using polarizable models.
JC Shelley, M Sprik, ML Klein
ABSTR PAP AM CHEM S
(1997)
214
Molecular dynamics studies of the electrostatics of micellar interfaces using a polarizable model.
JC Shelley, M Sprik, ML Klein
ABSTR PAP AM CHEM S
(1997)
214
Displaced metal surface sum frequency spectroscopy of adsorbates at the mica/liquid interface.
AM Briggs, EW Usadi, PB Davies
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1997)
214
Wigner-Seitz model of charged lamellar colloidal dispersions
E Trizac, J-P Hansen
Physical Review E
(1997)
56
Continued-fraction expansions for the Riemann zeta function and polylogarithms
D Cvijović, J Klinowski
Proceedings of the American Mathematical Society
(1997)
125
Applications of inverse Raman spectroscopy for the study of the structures of liquid crystals
A Grofcsik, M Kubinyi, J Baran, WJ Jones
Magyar Kemiai Folyoirat Kemiai Kozlemenyek
(1997)
103
What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?.
JM Goodman
Journal of Chemical Information and Computer Sciences
(1997)
37
X=Y-ZH systems as potential 1,3-dipoles. Part 47. Tandem nucleophilic substitution/1,3 dipolar cycloaddition reactions of oximes with epoxides and dipolarophiles.
J Markandu, HA Dondas, M Frederickson, R Grigg
Tetrahedron
(1997)
53
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
Š Vajda, S Wolf, T Leisner, U Busolt, LH Wöste, DJ Wales
Journal of Chemical Physics
(1997)
107
State-to-state reaction probabilities from the time-independent wavepacket reactant-product decoupling equations: Application to the three-dimensional H+H-2 reaction (for J=0)
SC Althorpe, DJ Kouri, DK Hoffman
Chemical Physics Letters
(1997)
275
Acidity and Catalytic Properties of Realuminated Zeolite Y
B Sulikowski, J Datka, B Gil, J Ptaszynski, J Klinowski
The Journal of Physical Chemistry B
(1997)
101
Fluorine-atom initiated oxidation of CF3CF2H (HFC-125) studied by FTIR spectroscopy: product yields and kinetic modelling
AS Hasson, CM Moore, IWM Smith
Journal of the Chemical Society, Faraday Transactions
(1997)
93
Rate constants for the reaction between OH and CH3ONO2 and C2H5ONO2 over a range of pressure and temperature
DE Shallcross, P Biggs, CE Canosa-Mas, KC Clemitshaw, MG Harrison, MRL Alañón, JA Pyle, A Vipond, RP Wayne
Journal of the Chemical Society Faraday Transactions
(1997)
93
Automated ground-based star-pointing UV -visible spectrometer for stratospheric measurements.
HK Roscoe, WH Taylor, JD Evans, AM Tait, R Freshwater, D Fish, EK Strong, RL Jones
Appl Opt
(1997)
36
3-(1,8-Naphthalenedicarboximido)benzonitrile [or N-(3-cyanophenyl)-1,8-naphthalimide], C19H10N2O2
RA Batchelor, CA Hunter, J Simpson
Acta Crystallographica Section C: Structural Chemistry
(1997)
53
Theoretical studies of atomic vibrations on the surface
HM Tütüncü, SJ Jenkins, GP Srivastava
Physical Review B
(1997)
56
Structural, dynamical, electronic, and bonding properties of laser-heated silicon: An ab initio molecular-dynamics study
PL Silvestrelli, A Alavi, M Parrinello, D Frenkel
Physical Review B Condensed Matter and Materials Physics
(1997)
56
Circular Dichroism of Denatured Barstar Suggests Residual Structure,
B Nölting, R Golbik, AS Soler-González, AR Fersht
Biochemistry
(1997)
36