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  • Currently displaying 25021 - 25040 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
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
(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 effect of circularly polarized light on NMR spectra
AD BUCKINGHAM, LC PARLETT
Molecular Physics
(1997)
91
The Radiative Association of CH with H2: 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
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 27Al and 23Na MAS NMR study of amphiboles
L Delevoye, S Liu, MD Welch, C Fernandez, J-P Amoureux, J Klinowski
Physical Chemistry Chemical Physics
(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
The Journal of Chemical Physics
(1997)
107
Retrieval of NO2 vertical profiles from ground‐based UV‐visible measurements: Method and validation
KE Preston, RL Jones, HK Roscoe
Journal of Geophysical Research Atmospheres
(1997)
102
Amorphous materials - Editorial overview
S Elliott, R Street
Current Opinion in Solid State and Materials Science
(1997)
2
A residue-specific NMR view of the non-cooperative unfolding of a molten globule
BA Schulman, PS Kim, CM Dobson, C Redfield
Nature Structural & Molecular Biology
(1997)
4
Folding and stability of a fibronectin type III domain of human tenascin.
J Clarke, SJ Hamill, CM Johnson
Journal of Molecular Biology
(1997)
270
A comparison of the folding kinetics and thermodynamics of two homologous fibronectin type III modules.
KW Plaxco, C Spitzfaden, ID Campbell, CM Dobson
Journal of molecular biology
(1997)
270
Temperature dependence of the ClO concentration near the stratopause
S Ghosh, JA Pyle, P Good
Journal of Geophysical Research
(1997)
102
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
Tandem 1,3-azaprotio cyclotransfer-cycloaddition reactions between ketoximes and divinyl ketone or its equivalents: Lewis acid mediated rate enhancement and control of cycloaddition regioselectivity.
IS Saba, M Frederickson, R Grigg, PJ Dunn, PC Levett
Tetrahedron Letters
(1997)
38
Quantum mechanics in chemistry - Simons,J, Nichols,J
NC Handy, D Palmer
Nature
(1997)
388
Anharmonic constants for benzene
NC Handy, A Willetts
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
(1997)
53