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  • Currently displaying 22561 - 22580 of 30213 publications
Author(s)
Publication title
Journal Name
Publication year
Methylene singlet-triplet separation. An explicit variational treatment of many-body correlation effects
P Saxe, HF Schaefer, NC Handy
The Journal of Physical Chemistry
(2002)
85
Nuclear magnetic shielding density
CJ Jameson, AD Buckingham
The Journal of Physical Chemistry
(2002)
83
Pressure broadening of acetylene rotational Raman lines by argon
M Ceruti, D Frenkel, JP McTague
Journal of Physical Chemistry
(2002)
84
Selective hydrogenation of acetylene over palladium in ultra high vacuum
WT Tysoe, GL Nyberg, RM Lambert
Journal of Physical Chemistry
(2002)
90
SOLID-STATE MAGIC-ANGLE SPINNING AL-27 NUCLEAR MAGNETIC-RESONANCE STUDIES OF ZEOLITES USING A 400-MHZ HIGH-RESOLUTION SPECTROMETER
CA Fyfe, GC Gobbi, JS Hartman, J Klinowski, JM Thomas
The Journal of Physical Chemistry
(2002)
86
Light scattering in electric fields
AD Buckingham
The Journal of Physical Chemistry
(2002)
86
Kinetics of the hydroxyl + nitrogen dioxide + argon and hydroxyl + nitrogen dioxide + tetrafluoromethane reactions at high total pressures
JS Robertshaw, IWM Smith
The Journal of Physical Chemistry
(2002)
86
Twinning in zeolite Y. The conversion of faujasite into a new zeolite structure
M Audier, JM Thomas, J Klinowski, DA Jefferson, LA Bursill
The Journal of Physical Chemistry
(2002)
86
Solvent polarization and hydration of the chlorine anion
M Sprik, ML Klein, K Watanabe
Journal of Physical Chemistry
(2002)
94
Anharmonic corrections to vibrational transition intensities
A Willetts, NC Handy, WH Green, D Jayatilaka
The Journal of Physical Chemistry
(2002)
94
John Anthony Pople: Cambridge days
AD Buckingham
The Journal of Physical Chemistry
(2002)
94
Determination of the bonding and orientation of ethylene on palladium(111) by near-edge x-ray absorption fine structure and photoelectron spectroscopy
LP Wang, WT Tysoe, RM Ormerod, RM Lambert, H Hoffmann, F Zaera
The Journal of Physical Chemistry
(2002)
94
In situ solid-state NMR studies of the catalytic conversion of methanol on the molecular sieve SAPO-34
MW Anderson, B Sulikowski, PJ Barrie, J Klinowski
The Journal of Physical Chemistry
(2002)
94
The development of versions 3 and 4 of the Cambridge Structural Database System
FH Allen, JE Davies, JJ Galloy, O Johnson, O Kennard, CF Macrae, EM Mitchell, GF Mitchell, JM Smith, DG Watson
Journal of Chemical Information and Modeling
(2002)
31
Matching Two-Dimensional Chemical Graphs Using Genetic Algorithms
RD Brown, G Jones, P Willett, RC Glen
Journal of Chemical Information and Modeling
(2002)
34
Pharmacophoric Pattern Matching in Files of Three-Dimensional Chemical Structures: Comparison of Conformational-Searching Algorithms for Flexible Searching
DE Clark, G Jones, P Willett, PW Kenny, RC Glen
Journal of Chemical Information and Modeling
(2002)
34
Synthesis of polyoxometalate pillared layered double hydroxides via calcined precursors
K Chibwe, W Jones
Chemistry of Materials
(2002)
1
An Ab Initio Approach to Crystal Structure Determination Using High-Resolution Powder Diffraction and Computational Chemistry Techniques: Application to 6,13-Dichlorotriphendioxazine
PG Fagan, RB Hammond, KJ Roberts, R Docherty, AP Chorlton, W Jones, GD Potts
Chemistry of Materials
(2002)
7
Li-6 MAS NMR studies of the local structure and electrochemical properties of Cr-doped lithium manganese and lithium cobalt oxide cathode materials for lithium-ion batteries
C Pan, YJ Lee, B Ammundsen, CP Grey
Chemistry of Materials
(2002)
14
Selective Excitation in High-Resolution NMR
R Freeman
Chemical Reviews
(2002)
91