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  • Currently displaying 20541 - 20560 of 29607 publications
Author(s)
Publication title
Journal Name
Publication year
Three, four and five interacting electrons in a spherical box: An exact diagonalization study extended
DC Thompson, A Alavi
Journal of Physics Condensed Matter
(2004)
16
Structural characteristics of positionally disordered lattices: Relation to the first sharp diffraction peak in glasses
JK Christie, SN Taraskin, SR Elliott
Physical Review B
(2004)
70
A structural similarity analysis of double-helical DNA
EJ Gardiner, CA Hunter, X-J Lu, P Willett
Journal of Molecular Biology
(2004)
343
Simulation of layered double hydroxide intercalates
AM Aicken, IS Bell, PV Coveney, W Jones
Advanced Materials
(2004)
9
New uses for the Burgess reagent in chemical synthesis: methods for the facile and stereoselective formation of sulfamidates, glycosylamines, and sulfamides.
KC Nicolaou, SA Snyder, DA Longbottom, AZ Nalbandian, X Huang
Chemistry – A European Journal
(2004)
10
Comparison of the Transition States for Folding of Two Ig-like Proteins from Different Superfamilies
CD Geierhaas, E Paci, M Vendruscolo, J Clarke
Journal of Molecular Biology
(2004)
343
Biosynthesis of pantothenate
ME Webb, AG Smith, C Abell
Nat Prod Rep
(2004)
21
The chemistry of thujone. VIII. Thujone as a chiral synthon for the synthesis of optically active steroid analogues. The enol lactone route
JP Kutney, P Grice, KO Pascoe, K Piotrowska, SJ Rettig, J Szykula, J Trotter
Helvetica Chimica Acta
(2004)
66
THE CHEMISTRY OF THUJONE .9. THUJONE AS A CHIRAL SYNTHON FOR THE SYNTHESIS OF OPTICALLY-ACTIVE STEROID ANALOGS - THE VINYLPICOLINE ROUTE
JP Kutney, P Grice, K Piotrowska, SJ Rettig, J Szykula, J Trotter, L Van Chu
Helvetica Chimica Acta
(2004)
66
The chemistry of thujone. VI. Thujone as a chiral synthon for the synthesis of optically active steroid analogues
JP Kutney, P Grice, KO Pascoe, K Piotrowska, SJ Rettig, J Szykula, J Trotter
Helvetica Chimica Acta
(2004)
65
Positional disorder in lattices: A model for the structural order responsible for the first sharp diffraction peak in glasses
JK Christie, SN Taraskin, SR Elliott
Journal of Physics Condensed Matter
(2004)
16
Chemical documents: Machine understanding and automated information extraction
JA Townsend, SE Adams, CA Waudby, VK de Souza, JM Goodman, P Murray-Rust
Organic & biomolecular chemistry
(2004)
2
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.
Z Liu, SJ Jenkins, DA King
ChemInform
(2004)
35
The role of electronically excited states in recombination reactions
IWM Smith
International Journal of Chemical Kinetics
(2004)
16
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 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
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
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