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  • Currently displaying 20581 - 20600 of 29903 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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 ν2 fundamental band of the methyl radical
GD Stancu, J Röpcke, PB Davies
J Chem Phys
(2004)
122
Resolution of (S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization.
C Esterhuysen, MW Bredenkamp, GO Lloyd
Acta crystallographica. Section C, Crystal structure communications
(2004)
61
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
Scientific biography
NC Handy
Molecular Physics
(2004)
102
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 [2 × 2] copper(I) grid
JR Nitschke, M Hutin, G Bernardinelli
Angewandte Chemie International Edition
(2004)
43
Reactions of potent antitumor complex trans-[RuIIICl4(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
What is the smallest saturated acyclic alkane that cannot be made?
KMN de Silva, JM Goodman
Journal of Chemical Information and Modeling
(2004)
45
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
J Phys Chem 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
The 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
A second-generation total synthesis of (+)-discodermolide: The development of a practical route using solely substrate-based stereocontrol
I Paterson, O Delgado, GJ Florence, I Lyothier, M O'Brien, JP Scott, N Sereinig
The Journal of organic chemistry
(2004)
70
Nickel formate route to the growth of carbon nanotubes
J Geng, H Li, VB Golokov, DS Shephard, DA Jefferson, BFG Johnson, S Hofmann, B Kleinsorge, J Robertson, C Ducati
Journal of Physical Chemistry B
(2004)
108