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  • Currently displaying 20241 - 20260 of 29283 publications
Author(s)
Publication title
Journal Name
Publication year
Absolute rate constants for the reactions O(3P) atoms with HCl and HBr
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
7
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
JE Rice, NC Handy
International Journal of Quantum Chemistry
(2004)
43
Implications of unitary invariance for gradient theory
D Jayatilaka, NC Handy
International Journal of Quantum Chemistry
(2004)
42
Higher analytic derivatives. I. A new implementation for the third derivative of the SCF energy
SM Colwell, D Jayatilaka, PE Maslen, RD Amos, NC Handy
International Journal of Quantum Chemistry
(2004)
40
TIME-RESOLVED VIBRATIONAL CHEMILUMINESCENCE - RATE CONSTANTS FOR THE REACTIONS OF F-ATOMS WITH H2O AND HCN, AND FOR THE RELAXATION OF HF (V = 1) BY H2O AND HCN
RJ Frost, DS Green, MK Osborn, IWM Smith
International Journal of Chemical Kinetics
(2004)
18
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
Three- and four-body interactions in colloidal systems
J Dobnikar, M Brunner, J Baumgartl, C Bechinger, H-H von Gruenberg
SPIE Proceedings
(2004)
5514
Magic-angle spinning: a historical perspective.
JW Hennel, J Klinowski
Topics in current chemistry
(2004)
246
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
Anal Chem
(2004)
76
Breakdown of classical nucleation theory near isostructural phase transitions - art. no. 166105
A Cacciuto, S Auer, D Frenkel
Physical Review Letters
(2004)
93
New horizons in molecular informatics.
RC Glen
Organic Biomolecular Chemistry
(2004)
2
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
Molecular similarity: A key technique in molecular informatics
A Bender, RC Glen
Organic & Biomolecular Chemistry
(2004)
2
Studying nanoparticle-induced structural changes within fatty acid multilayer films using sum frequency generation vibrational spectroscopy
J Holman, S Ye, DJ Neivandt, PB Davies
Journal of the American Chemical Society
(2004)
126
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 Structure Reports Online
(2004)
60
2-(p-Nitrophenoxy)tetrahydropyran
R Chopra, N Shan, WDS Motherwell, W Jones
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
CMLSnap: Animated reaction mechanisms
GL Holliday, JBO Mitchell, P Murray-Rust
INTERNET JOURNAL OF CHEMISTRY
(2004)
7
5-[(E)-2-phenylethen-1-yl]quinolin-8-ol
JK Bjernemose, RJ Less, PR Raithby
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