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  • Currently displaying 22181 - 22200 of 29614 publications
Author(s)
Publication title
Journal Name
Publication year
Calculation of the free energy of electron solvation in liquid ammonia using a path integral quantum Monte Carlo simulation
M Marchi, M Sprik, ML Klein
The Journal of Physical Chemistry
(2002)
92
Reaction between hydroxyl (deuteroxyl) radicals and carbon monoxide at temperatures down to 80 K: experiment and theory
MJ Frost, P Sharkey, IWM Smith
The Journal of Physical Chemistry
(2002)
97
ESCA studies of aluminophosphate molecular sieves
H He, K Alberti, TL Barr, J Klinowski
The Journal of Physical Chemistry
(2002)
97
Proton magic-angle-spinning NMR studies of the adsorption of alcohols on molecular sieve catalysts
MW Anderson, J Klinowski, PJ Barrie
Journal of Physical Chemistry
(2002)
95
Ferrocene molecular reorientation in the (thiourea)3.cntdot.ferrocene inclusion compound as studied by deuteron NMR spectroscopy
SJ Heyes, NJ Clayden, CM Dobson
Journal of Physical Chemistry
(2002)
95
Computer simulation of the dynamics of induced polarization fluctuations in water
M Sprik
Journal of Physical Chemistry
(2002)
95
Induced dipole moments in acetylene complexes
CR Le Sueur, AJ Stone, PW Fowler
The Journal of Physical Chemistry
(2002)
95
Intercalation and pillaring of zirconium bis(monohydrogenphosphate) with 3-[(triethoxy)silyl]-1-propylamine
L Li, X Liu, Y Ge, L Li, J Klinowski
The Journal of Physical Chemistry
(2002)
95
Orientation dependence of the induction contribution in molecule-graphite interactions
DB Whitehouse, AD Buckingham, RB Bernstein, VA Cho, RD Levine
The Journal of Physical Chemistry
(2002)
95
Variable-temperature 129Xe NMR studies of a pillared montmorillonite
PJ Barrie, GF McCann, I Gameson, T Rayment, J Klinowski
Journal of Physical Chemistry
(2002)
95
SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF THE ALUMINOPHOSPHATE MOLECULAR-SIEVE DPA-VPI-5
X Liu, H He, J Klinowski
Journal of Physical Chemistry
(2002)
95
Some new ideas in the theory of intermolecular forces: anisotropic atom-atom potentials
AJ Stone, SL Price
The Journal of Physical Chemistry
(2002)
92
Structure of hard-core models for liquid crystals
D Frenkel
The Journal of Physical Chemistry
(2002)
92
Convergence of projected unrestricted Hartee-Fock Moeller-Plesset series.
PJ Knowles, NC Handy
The Journal of Physical Chemistry
(2002)
92
Preparation and structural characterization of an unprotected copper sol
AC Curtis, DG Duff, PP Edwards, DA Jefferson, BFG Johnson, AI Kirkland, AS Wallace
The Journal of Physical Chemistry
(2002)
92
Computer-Aided Design and Synthesis of 5-Substituted Tryptamines and Their Pharmacology at the 5-HT1D Receptor: Discovery of Compounds with Potential Anti-Migraine Properties
RC Glen, GR Martin, AP Hill, RM Hyde, PM Woollard, JA Salmon, J Buckingham, AD Robertson
J Med Chem
(2002)
38
A series of penicillin-derived C2-symmetric inhibitors of HIV-1 proteinase: structural and modeling studies.
A Wonacott, R Cooke, FR Hayes, MM Hann, H Jhoti, P McMeekin, A Mistry, P Murray-Rust, OM Singh, MP Weir
J Med Chem
(2002)
36
Gauge dependence of vibrational rotational strengths: ammonia (NHDT)
KJ Jalkanen, PJ Stephens, RD Amos, NC Handy
The Journal of Physical Chemistry
(2002)
92
Correlated ab initio harmonic frequencies and infrared intensities for furan, pyrrole, and thiophene
ED Simandiras, NC Handy, RD Amos
The Journal of Physical Chemistry
(2002)
92
Inotropic "A" ring substituted sulmazole and isomazole analogues.
P Barraclough, JW Black, D Cambridge, D Collard, D Firmin, VP Gerskowitch, RC Glen, H Giles, AP Hill, RA Hull
J Med Chem
(2002)
33