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  • Currently displaying 23521 - 23540 of 31108 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
Journal of Physical Chemistry
(2002)
92
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
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
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
Molecular mechanisms in the cyclotrimerization of acetylene to benzene on palladium (111)
CH Patterson, RM Lambert
The Journal of Physical Chemistry
(2002)
92
Comparison of overtone-induced and electronic photochemistry of liquid tert-butyl hydroperoxide: supporting evidence for vibrational mode selectivity
JH Gutow, D Klenerman, RN Zare
Journal of Physical Chemistry
(2002)
92
Collision-induced vibrational energy transfer in small polyatomic molecules
BJ Orr, IWM Smith
The Journal of Physical Chemistry
(2002)
91
Onsager's spherocylinders revisited
D Frenkel
Journal of Physical Chemistry
(2002)
91
Superlattices in ternary oxides derived from bismuth oxide (Bi2O3): new families of ordered phases based on the fluorite structure
W Zhou, DA Jefferson, M Alario-Franco, JM Thomas
The Journal of Physical Chemistry
(2002)
91
Induced dipole moments of van der Waals complexes
PW Fowler, AJ Stone
The Journal of Physical Chemistry
(2002)
91
PULSED PHOTOLYSIS LASER-INDUCED FLUORESCENCE MEASUREMENTS OF THE RATE CONSTANTS FOR REACTIONS OF THE CN RADICAL WITH H-2, O-2, NH-3, HCL, HBR, AND HI
J De Juan, IWM Smith, B Veyret
The Journal of Physical Chemistry
(2002)
91
AB-initio prediction of properties of carbon dioxide, ammonia, and carbon dioxide...ammonia
RD Amos, NC Handy, PJ Knowles, JE Rice, AJ Stone
The Journal of Physical Chemistry
(2002)
89
Cotton-Mouton effect, magnetic anisotropy and charge distribution of cyclopropane
PB Lukins, DR Laver, AD Buckingham, GLD Ritchie
The Journal of Physical Chemistry
(2002)
89
Oxygen vacancy ordering in a selective oxidation catalyst: calcium manganese oxide (CaMnO2.8)
A Reller, DA Jefferson, JM Thomas, MK Uppal
The Journal of Physical Chemistry
(2002)
87
High-resolution silicon-29 nuclear magnetic resonance spectrum of zeolite ZK-4: Its significance in assessing magic-angle-spinning nuclear magnetic resonance as a structural tool for aluminosilicates
JM Thomas, CA Fyfe, S Ramdas, J Klinowski, GC Gobbi
The Journal of Physical Chemistry
(2002)
86
Phonon spectroscopy of photochemical reactions in organic solids: Photodimerization of 2-benzyl-5-benzylidenecyclopentanone and photopolymerization of 2,5-distyrylpyrazine
J Swiatkiewicz, G Eisenhardt, PN Prasad, JM Thomas, W Jones, CR Theocharis
The Journal of Physical Chemistry
(2002)
86
Critical ensemble required for acetylene cyclization on palladium(111): a study of steric inhibition by coadsorbed oxygen
RM Ormerod, RM Lambert
Journal of Physical Chemistry
(2002)
96