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  • Currently displaying 25601 - 25620 of 30389 publications
Author(s)
Publication title
Journal Name
Publication year
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
Temperature dependence of the ClO concentration near the stratopause
S Ghosh, JA Pyle, P Good
Journal of Geophysical Research Atmospheres
(1997)
102
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
Journal of Chemical Physics
(1997)
107
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
Retrieval of NO2 vertical profiles from ground‐based UV‐visible measurements: Method and validation
KE Preston, RL Jones, HK Roscoe
Journal of Geophysical Research
(1997)
102
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
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
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
Amorphous materials
S Elliott, R Street
Current Opinion in Solid State and Materials Science
(1997)
2
A biomimetic approach to the manzamine alkaloids
DR Spring, JE Baldwin, RC Whitehead, L Bischoff, TDW Claridge
FASEB Journal
(1997)
11
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
At a glance
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
Ab initio molecular dynamics of ion solvation. The case of Be2+ in water
D Marx, M Sprik, M Parrinello
Chemical Physics Letters
(1997)
273
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
“Paddle-Wheel” Tris(cyclopentadienyl)tin(II) and -lead(II) Complexes:  Syntheses, Structures, and Model MO Calculations
DR Armstrong, MJ Duer, MG Davidson, D Moncrieff, CA Russell, C Stourton, A Steiner, D Stalke, DS Wright
Organometallics
(1997)
16
On the shapes of newton's revolving orbits
D Lynden-Bell, RM Lynden-Bell
Notes and Records the Royal Society Journal of the History of Science
(1997)
51
Haem d(1): development of a new coupling procedure leading to the synthesis of isobacteriochlorins
RL Mackman, J Micklefield, MH Block, FJ Leeper, AR Battersby
J CHEM SOC PERK T 1
(1997)
Haem d1: stereoselective synthesis of the macrocycle to establish its absolute configuration as 2R,7R 1
J Micklefield, M Beckmann, RL Mackman, MH Block, FJ Leeper, AR Battersby
Journal of the Chemical Society Perkin Transactions 1
(1997)