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  • Currently displaying 22041 - 22060 of 30849 publications
Author(s)
Publication title
Journal Name
Publication year
An ab initio study of tunneling splittings in the water dimer
Y Watanabe, T Taketsugu, DJ Wales
The Journal of chemical physics
(2004)
120
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
(2004)
69
The plane wave packet approach to quantum scattering theory
SC Althorpe
International Reviews in Physical Chemistry
(2004)
23
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
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 Ng, AD Bond, JKM Sanders
Angewandte Chemie
(2004)
116
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 Edition
(2004)
43
Multiple stalk formation as a pathway of defect-induced membrane fusion
DB Lukatsky, D Frenkel
(2004)
DABCO-directed self-assembly of Zn bis-porphyrins: 1 : 1 complexes and 2 : 2 molecular assemblies
P Ballester, A Costa, PM Deya, A Frontera, RM Gomila, CA Hunter
Abstracts of Papers of the American Chemical Society
(2004)
227
Using dynamic force spectroscopy, protein engineering, structural studies and molecular dynamics simulations to investigate the effect of force on a protein unfolding landscape.
J Clarke
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
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
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
Organocuprate oxidation with improved functional group tolerance and its application to medium ring synthesis
DS Surry, DR Spring
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
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
Chemically feasible hypothetical crystalline networks.
MD Foster, A Simperler, RG Bell, OD Friedrichs, FAA Paz, J Klinowski
Nature Materials
(2004)
3
Computational studies on the analysis of organic reactivity.
IM Socorro, JM Goodman, KT Taylor
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
Capturing chemistry in XML.
JA Townsend, P Murray-Rust
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