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  • Currently displaying 20861 - 20880 of 29607 publications
Author(s)
Publication title
Journal Name
Publication year
General time-dependent formulation of quantum scattering theory - art. no. 042702
SC Althorpe
Physical Review A
(2004)
69
Simulation of physical properties of the chalcogenide glassAs2S3using a density-functional-based tight-binding method
SI Simdyankin, SR Elliott, Z Hajnal, TA Niehaus, T Frauenheim
Physical Review B Condensed Matter and Materials Physics
(2004)
69
The plane wave packet approach to quantum scattering theory
SC Althorpe
International Reviews in Physical Chemistry
(2004)
23
Sulfonium ylide epoxidation reactions: methylene transfer.
BR Bellenie, JM Goodman
Chemical communications (Cambridge, England)
(2004)
4
Fast reconstruction of four-dimensional NMR spectra from plane projections
E Kupce, R Freeman
Journal of Biomolecular NMR
(2004)
28
An ab initio study of tunneling splittings in the water dimer
Y Watanabe, T Taketsugu, DJ Wales
The Journal of Chemical Physics
(2004)
120
Solution structure of the cyclic peptide contryphan-Vn, a Ca2+-dependent K+ channel modulator
T Eliseo, DO Cicero, C Romeo, ME Schininà, GR Massilia, F Polticelli, P Ascenzi, M Paci
Biopolymers
(2004)
74
Synthesis and serotonergic activity of variously substituted (3-amido)phenylpiperazine derivatives and benzothiophene-4-piperazine derivatives: novel antagonists for the vascular 5-HT1B receptor
GP Moloney, A Garavelas, GR Martin, M Maxwell, RC Glen
European Journal of Medicinal Chemistry
(2004)
39
Cascaded z-filters for efficient single-scan suppression of zero-quantum coherence
KE Cano, MJ Thrippleton, J Keeler, AJ Shaka
Journal of Magnetic Resonance
(2004)
167
The use of scanning ion conductance microscopy to image A6 cells.
J Gorelik, Y Zhang, AI Shevchuk, GI Frolenkov, D Sánchez, MJ Lab, I Vodyanoy, CRW Edwards, D Klenerman, YE Korchev
Molecular and cellular endocrinology
(2004)
217
Lithium-templated synthesis of a donor-acceptor pseudorotaxane and catenane.
G Kaiser, T Jarrosson, S Otto, Y-F Ng, AD Bond, JKM Sanders
Angewandte Chemie (International ed. in English)
(2004)
43
Lithium‐Templated Synthesis of a Donor–Acceptor Pseudorotaxane and Catenane
G Kaiser, T Jarrosson, S Otto, Y Ng, AD Bond, JKM Sanders
Angewandte Chemie
(2004)
116
Single molecule studies of protein folding by atomic force microscopy(AFM).
S Ng, R Rounsevell, A Steward, L Randles, J Clarke
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Semantic grid computing - The WorldWideMolecularMatrix.
Y Zhang, RC Glen, P Murray-Rust, HS Rzepa, JA Townsend
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Capturing chemistry in XML.
JA Townsend, P Murray-Rust
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Molecular modelling for organic chemists: A chemical informatics problem.
JM Goodman, MA Silva
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Computational studies on the analysis of organic reactivity.
IM Socorro, JM Goodman, KT Taylor
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Study of the coadsorption of an anionic surfactant and an uncharged polymer at the aqueous solution/hydrophobic surface interface by sum frequency vibrational spectroscopy
MTL Casford, PB Davies, DJ Neivandt
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Similarity searching using atom environments, information gain based feature selection and the naive Bayesian classifier.
A Bender, S Reiling, HY Mussa, RC Glen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Comparative evaluation of five scoring functions for accurate prediction of protein-ligand binding energy.
D Puvanendrampillai, PM Marsden, JBO Mitchell, RC Glen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227