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  • Currently displaying 20461 - 20480 of 29614 publications
Author(s)
Publication title
Journal Name
Publication year
Investigating the effects of mutations on protein aggregation in the cell
G Calloni, S Zoffoli, M Stefani, CM Dobson, F Chiti
Journal of Biological Chemistry
(2004)
280
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O-3 profile sounding
GM Hansford, RA Freshwater, RA Bosch, RA Cox, RL Jones, KFE Pratt, DE Williams
Journal of environmental monitoring : JEM
(2004)
7
Chemical space and biology
CM Dobson
Nature
(2004)
432
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions.
L Bernasconi, J Blumberger, M Sprik, R Vuilleumier
The Journal of chemical physics
(2004)
121
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
J VandeVondele, F Mohamed, M Krack, J Hutter, M Sprik, M Parrinello
The Journal of chemical physics
(2004)
122
Synthesis and structure determination of a new organically templated scandium fluorophosphate framework and its indium analogue
H Park, I Bull, L Peng, VG Young, CP Grey, JB Parise
Chemistry of Materials
(2004)
16
The energy landscape as a unifying theme in molecular science
DJ Wales
Philos Trans A Math Phys Eng Sci
(2004)
363
Line strengths and transition dipole moment of the nu(2) fundamental band of the methyl radical
GD Stancu, J Röpcke, PB Davies
The Journal of Chemical Physics
(2004)
122
Resolution of (S,S)-4-(2,2,4-trimethyl-chroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization
C Esterhuysen, MW Bredenkamp, GO Lloyd
Acta Crystallographica Section C: Structural Chemistry
(2004)
61
Scientific biography
NC Handy
Molecular Physics
(2004)
102
The molecular physics lecture 2004: (i) Density functional theory, (ii) Quantum Monte Carlo
NC Handy
Molecular Physics
(2004)
102
Speed-up of Monte Carlo simulations by sampling of rejected states.
D Frenkel
Proceedings of the National Academy of Sciences of the United States of America
(2004)
101
The Hydrophobic Effect as a Driving Force in the Self‐Assembly of a [2×2] Copper(I) Grid
JR Nitschke, M Hutin, G Bernardinelli
Angewandte Chemie
(2004)
116
The hydrophobic effect as a driving force in the self-assembly of a [2x2] Copper(I) grid
JR Nitschke, M Hutin, G Bernardinelli
Angewandte Chemie International Edition
(2004)
43
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
KMN de Silva, JM Goodman
Journal of chemical information and modeling
(2004)
45
Reactions of potent antitumor complex trans-[RuIIICl 4(indazole)2]- with a DNA-relevant nucleobase and thioethers: Insight into biological action
A Egger, VB Arion, E Reisner, B Cebrián-Losantos, S Shova, G Trettenhahn, BK Keppler
Inorganic chemistry
(2004)
44
Molecular dynamics simulations of GlpF in a micelle vs in a bilayer: Conformational dynamics of a membrane protein as a function of environment
G Patargias, PJ Bond, SS Deol, MSP Sansom
The journal of physical chemistry. B
(2004)
109
Adsorption of Atmospherically Relevant Gases at the Air/Water Interface: Free Energy Profiles of Aqueous Solvation of N2, O2, O3, OH, H2O, HO2, and H2O2
R Vácha, P Slavíček, M Mucha, BJ Finlayson-Pitts, P Jungwirth
Journal of Physical Chemistry A
(2004)
108
Total synthesis of the Fusarium toxin equisetin
LT Burke, DJ Dixon, SV Ley, F Rodríguez
Organic & Biomolecular Chemistry
(2004)
3
Φ value versus ψ analysis
AR Fersht
Proceedings of the National Academy of Sciences
(2004)
101