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  • Currently displaying 26101 - 26120 of 30891 publications
Author(s)
Publication title
Journal Name
Publication year
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
Building thermodynamic combinatorial libraries of quinine macrocycles
SJ Rowan, JKM Sanders
Chemical Communications
(1997)
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
Amorphous materials
S Elliott, R Street
Current Opinion in Solid State and Materials Science
(1997)
2
Numerical study of the phase behavior of rodlike colloids with attractive interactions
PG Bolhuis, A Stroobants, D Frenkel, HNW Lekkerkerker
Journal of Chemical Physics
(1997)
107
A comparison of the folding kinetics and thermodynamics of two homologous fibronectin type III modules11Edited by P. E. Wright
KW Plaxco, C Spitzfaden, ID Campbell, CM Dobson
J Mol Biol
(1997)
270
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 Lett.
(1997)
38
Folding and stability of a fibronectin type III domain of human tenascin11Edited by P. E. Wright
J Clarke, SJ Hamill, CM Johnson
Journal of molecular biology
(1997)
270
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
Temperature dependence of the ClO concentration near the stratopause
S Ghosh, JA Pyle, P Good
Journal of Geophysical Research: Atmospheres
(1997)
102
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
Quantum mechanics in chemistry - Simons,J, Nichols,J
NC Handy, D Palmer
Nature
(1997)
388
Investigation of the mechanistic functions of residues his113 and his114 in pyruvate decarboxylase from zymomonas mobilis: A proposed model in the binding of the substrate pyruvate
G Schenk, FJ Leeper, R England, PF Nixon, RG Duggleby
FASEB Journal
(1997)
11
A biomimetic approach to the manzamine alkaloids
DR Spring, JE Baldwin, RC Whitehead, L Bischoff, TDW Claridge
FASEB Journal
(1997)
11
Anharmonic constants for benzene
NC Handy, A Willetts
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
(1997)
53
Ab initio molecular dynamics of ion solvation. The case of Be2+ in water
D Marx, M Sprik, M Parrinello
Chemical Physics Letters
(1997)
273
On the shapes of Newton's revolving orbits
D Lynden-Bell, RM Lynden-Bell
Notes and Records of the Royal Society
(1997)
51
Structural and Dynamical Properties of a Denatured Protein. Heteronuclear 3D NMR Experiments and Theoretical Simulations of Lysozyme in 8 M Urea
H Schwalbe, KM Fiebig, M Buck, JA Jones, SB Grimshaw, A Spencer, SJ Glaser, LJ Smith, CM Dobson
Biochemistry
(1997)
36