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  • Currently displaying 22281 - 22300 of 30961 publications
Author(s)
Publication title
Journal Name
Publication year
Using simulations to study vibrational relaxation of molecules in liquids
RM Lynden-Bell, FS Zhang
NOVEL APPROACHES TO THE STRUCTURE AND DYNAMICS OF LIQUIDS: EXPERIMENTS, THEORIES AND SIMULATIONS
(2004)
Total synthesis of spongistatin 1 (altohyrtin A): a tale of ten aldols
I Paterson, MJ Coster
(2004)
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)
A Bender, HY Mussa, GS Gill, RC Glen
Conference Proceedings IEEE International Conference on Systems Man and Cybernetics
(2004)
5
The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics.
DA Evans, DJ Wales, BC Dian, TS Zwier
The Journal of Chemical Physics
(2004)
120
Conformational dynamics of OmpA: MD simulations of a bacterial outer membrane protein
PJ Bond, MSP Sansom
BIOPHYSICAL JOURNAL
(2004)
86
Diastereoselectivity controlled by polar substituents on a sterogenic centre
I Fleming
Seminars in Organic Synthesis
(2004)
The phenyldimethylsilyllithium reagent
I Fleming
Seminars in Organic Synthesis
(2004)
Summer school "A. Corbella" on organic synthesis 'Disconnections that simplify the problem
S Warren
Seminars in Organic Synthesis
(2004)
Summer school "A. Corbella" on organic synthesis - 'Examples of strategy in synthesis'
S Warren
Seminars in Organic Synthesis
(2004)
The Performance of Hybrid Density Functionals in Solid State Chemistry
F Corà, M Alfredsson, G Mallia, DS Middlemiss, WC Mackrodt, R Dovesi, R Orlando
Structure and Bonding
(2004)
113
Multiple stalk formation as a pathway of defect-induced membrane fusion.
DB Lukatsky, D Frenkel
Eur Phys J E Soft Matter
(2004)
14
Combined NMR and XAS Study on Local Environments and Electronic Structures of Electrochemically Li-Ion Deintercalated Li1-xCo 1/3Ni1/3Mn1/3O2 Electrode System
W-S Yoon, CP Grey, M Balasubramanian, X-Q Yang, DA Fischer, J McBreen
Electrochemical and Solid-State Letters
(2004)
7
2 H MAS NMR and SPECS Studies of γ ­ MnO2 Reduction in Zinc Alkaline Primary Batteries
Y Paik, W Bowden, T Richards, R Sirotina, CP Grey
Journal of The Electrochemical Society
(2004)
151
Structural dissection of alkaline‐denatured pepsin
YO Kamatari, CM Dobson, T Konno
Journal of Spectroscopy
(2004)
18
Quantum Dynamics at Conical Intersections
SC Althorpe, GA Worth
(2004)
Dewetting of conducting polymer inkjet droplets on patterned surfaces.
JZ Wang, ZH Zheng, HW Li, WTS Huck, H Sirringhaus
Nature Materials
(2004)
3
Hsp90: from structure to phenotype.
SE Jackson, C Queitsch, D Toft
Nature Structural & Molecular Biology
(2004)
11
Modelling the Impact of Subsonic Aircraft Emissions on Ozone: Future Changes and the Impact of Cruise Altitude Perturbations
MO Köhler, HL Rogers, JA Pyle
Proceedings of the European Conference on Aviation, Atmosphere and Climate (AAC)
(2004)
Air Pollution Report 83
Impacts of Aircraft NOx Emissions: Effects of Changing the Flight Altitude
M Gauss, I Isaksen, V Grewe, MO Köhler, D Hauglustaine, D Lee
Air pollution report
(2004)
Disaggregation experiments as a tool to detect protofibrillar intermediates
M Calamai, C Canale, A Relini, M Stefani, F Chiti, CM Dobson
(2004)