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  • Currently displaying 25421 - 25440 of 30233 publications
Author(s)
Publication title
Journal Name
Publication year
What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?
JM Goodman
Journal of Chemical Information and Computer Sciences
(1997)
37
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
The 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 + H2 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
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
Fluorine-atom initiated oxidation of CF3CF2H (HFC-125) studied by FTIR spectroscopy: Product yields and kinetic modelling
AS Hasson, CM Moore, IWM Smith
Physical Chemistry Chemical Physics
(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
Structural, dynamical, electronic, and bonding properties of laser-heated silicon: Anab initiomolecular-dynamics study
PL Silvestrelli, A Alavi, M Parrinello, D Frenkel
Physical Review B Condensed Matter and Materials Physics
(1997)
56
3-(1,8-Naphthalenedicarboximido)benzonitrile [or N-(3-Cyanophenyl)-1,8-naphthalimide], C19H10N2O2
RA Batchelor, CA Hunter, J Simpson
Acta Crystallographica Section C Crystal Structure Communications
(1997)
53
Theoretical studies of atomic vibrations on theSi(001)(2×1)surface
HM Tütüncü, SJ Jenkins, GP Srivastava
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
Studies in marine macrolide synthesis: Stereocontrolled synthesis of the F-ring subunit of spongistatin 1 (altohyrtin A).
I Paterson, LE Keown
Tetrahedron Letters
(1997)
38
Novel Monte Carlo approach to the dynamics of fluids: Single-particle diffusion, correlation functions, and phase ordering of binary fluids - Comment
CP Lowe, R van Roij, D Frenkel
Physical Review Letters
(1997)
79
The radiative association of CH with H-2: A mechanism for formation of CH3 in interstellar clouds
RA Brownsword, IR Sims, IWM Smith, DWA Stewart, A Canosa, BR Rowe
The Astrophysical Journal
(1997)
485
The effect of circularly polarized light on NMR spectra
AD BUCKINGHAM, LC PARLETT
Molecular Physics
(1997)
91
From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes
RM Lynden-Bell, JC Rasaiah
Journal of Chemical Physics
(1997)
107
Triple-quantum Al-27 and Na-23 MAS NMR study of amphiboles
L Delevoye, S Liu, MD Welch, C Fernandez, J-P Amoureux, J Klinowski
Journal of the Chemical Society Faraday Transactions
(1997)
93
Density Functional Theory-Based Molecular Dynamics Simulation of Acid-Catalyzed Chemical Reactions in Liquid Trioxane
A Curioni, M Sprik, W Andreoni, H Schiffer, J Hutter, M Parrinello
Journal of the American Chemical Society
(1997)
119
Correlation potentials and functionals in Hartree-Fock-Kohn-Sham theory
GK-L Chan, DJ Tozer, NC Handy
Journal of Chemical Physics
(1997)
107
Numerical study of the phase behavior of rodlike colloids with attractive interactions
PG Bolhuis, A Stroobants, D Frenkel, HNW Lekkerkerker
The Journal of Chemical Physics
(1997)
107