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  • Currently displaying 20681 - 20700 of 29898 publications
Author(s)
Publication title
Journal Name
Publication year
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
Electrochemical activity of Li in the transition-metal sites of O3Li[Li(1-2x)/3Mn(2-x)/3Nix]O-2
CP Grey, W-S Yoon, J Reed, G Ceder
Electrochemical and Solid-State Letters
(2004)
7
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
JE Rice, NC Handy
International Journal of Quantum Chemistry
(2004)
43
The role of electronically excited states in recombination reactions
IWM Smith
International Journal of Chemical Kinetics
(2004)
16
Absolute rate constants for the reactions O(3P) atoms with HCl and HBr
RDH Brown, IWM Smith
International Journal of Chemical Kinetics
(2004)
7
Intermolecular forces in van der waals dimers
GJB Hurst, PW Fowler, AJ Stone, AD Buckingham
International Journal of Quantum Chemistry
(2004)
29
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
Proceedings of SPIE--the International Society for Optical Engineering
(2004)
5514
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
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
New horizons in molecular informatics
RC Glen
Org Biomol Chem
(2004)
2
Molecular similarity: a key technique in molecular informatics
A Bender, RC Glen
Org Biomol Chem
(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
J Am Chem Soc
(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
5-[(E)-2-phenylethen-1-yl]quinolin-8-ol
JK Bjernemose, RJ Less, PR Raithby
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
2-(p-nitrophenoxy)tetrahydropyran
R Chopra, N Shan, WDS Motherwell, W Jones
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
Simulating colloids with Baxter's adhesive hard sphere model
MA Miller, D Frenkel
Journal of Physics: Condensed Matter
(2004)
16
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