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  • Currently displaying 21961 - 21980 of 31091 publications
Author(s)
Publication title
Journal Name
Publication year
Implications of unitary invariance for gradient theory
D Jayatilaka, NC Handy
International Journal of Quantum Chemistry
(2004)
42
HIGHER ANALYTIC DERIVATIVES .1. A NEW IMPLEMENTATION FOR THE 3RD DERIVATIVE OF THE SCF ENERGY
SM Colwell, D Jayatilaka, PE Maslen, RD Amos, NC Handy
International Journal of Quantum Chemistry
(2004)
40
Intermolecular forces in van der waals dimers
GJB Hurst, PW Fowler, AJ Stone, AD Buckingham
International Journal of Quantum Chemistry
(2004)
29
The role of electronically excited states in recombination reactions
IWM Smith
International Journal of Chemical Kinetics
(2004)
16
Rate data for O + OCS → SO + CO and SO + O3 → SO2 + O2 by a new time‐resolved technique
JS Robertshaw, IWM Smith
International Journal of Chemical Kinetics
(2004)
12
Absolute rate constants for the reactions of O(3P) atoms with DCl and DBr
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
10
ABSOLUTE RATE CONSTANTS FOR REACTIONS O(P-3) ATOMS WITH HCL AND HBR
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
7
Electrochemical Activity of Li in the Transition-Metal Sites of O3 Li[Li[sub (1−2x)/3]Mn[sub (2−x)/3]Ni[sub x]]O[sub 2]
CP Grey, W-S Yoon, J Reed, G Ceder
Electrochemical and Solid State Letters
(2004)
7
Magic-angle spinning: a historical perspective
JW Hennel, J Klinowski
Top Curr Chem
(2004)
246
Three- and four-body interactions in colloidal systems
J Dobnikar, M Brunner, J Baumgartl, C Bechinger, H-H von Gruenberg
SPIE Proceedings
(2004)
5514
New horizons in molecular informatics
RC Glen
Organic & biomolecular chemistry
(2004)
2
Breakdown of classical nucleation theory near isostructural phase transitions.
A Cacciuto, S Auer, D Frenkel
Physical review letters
(2004)
93
Thin-film metal catalyst for the production of multi-wall and single-wall carbon nanotubes
RG Lacerda, KBK Teo, AS Teh, MH Yang, SH Dalal, DA Jefferson, JH Durrell, NL Rupesinghe, D Roy, GAJ Amaratunga, WI Milne, F Wyczisk, P Legagneux
Journal of Applied Physics
(2004)
96
Identification of organic acids in secondary organic aerosol and the corresponding gas phase from chamber experiments.
R Fisseha, J Dommen, M Sax, D Paulsen, M Kalberer, R Maurer, F Höfler, E Weingartner, U Baltensperger
Analytical chemistry
(2004)
76
Studying nanoparticle-induced structural changes within fatty acid multilayer films using sum frequency generation vibrational spectroscopy
J Holman, S Ye, DJ Neivandt, PB Davies
J Am Chem Soc
(2004)
126
Molecular similarity: A key technique in molecular informatics
A Bender, RC Glen
Org Biomol Chem
(2004)
2
Synthesis and stability of small molecule probes for Pseudomonas aeruginosa quorum sensing modulation
FG Glansdorp, GL Thomas, JJK Lee, JM Dutton, GPC Salmond, M Welch, DR Spring
Organic & biomolecular chemistry
(2004)
2
N-Methyl-N-(2-pyridinio­methyl)-2-[N-(2-pyridinio­methyl)­methyl­amino]-N-(2-pyridyl­methyl)­ethanaminium tris(perchlorate)
A Rompel, AD Bond, CJ McKenzie
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
2-(p-Nitrophenoxy)tetrahydropyran
R Chopra, N Shan, WDS Motherwell, W Jones
Acta Crystallographica Section E Structure Reports Online
(2004)
60
Simulating colloids with Baxter s adhesive hard sphere model
MA Miller, D Frenkel
Journal of Physics Condensed Matter
(2004)
16