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  • Currently displaying 20521 - 20540 of 29667 publications
Author(s)
Publication title
Journal Name
Publication year
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
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2004)
363
Line strengths and transition dipole moment of the nu2 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
The molecular physics lecture 2004: (i) Density functional theory, (ii) Quantum Monte Carlo
NC Handy
Molecular Physics
(2004)
102
Scientific biography - Nicholas Charles Handy
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
(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 ed. in English)
(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
Inorg Chem
(2004)
44
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
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
Total synthesis of the Fusarium toxin equisetin
LT Burke, DJ Dixon, SV Ley, F Rodríguez
Org. Biomol. Chem.
(2004)
3
Φ value versus ψ analysis
AR Fersht
Proc Natl Acad Sci U S A
(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
13C and 2DWISE NMR studies of the host mobility in two aromatic complexes of p-tert-butyl-calixarene
F Benevelli, YZ Khimyak, J Klinowski
Journal of inclusion phenomena and macrocyclic chemistry
(2004)
49
Vertical transport and degradation of polycyclic aromatic hydrocarbons in an Alpine Valley
M Kalberer, S Henne, ASH Prevot, M Steinbacher
Atmospheric Environment
(2004)
38
Controllable donor-acceptor neutral [2]rotaxanes.
T Iijima, SA Vignon, H-R Tseng, T Jarrosson, JKM Sanders, F Marchioni, M Venturi, E Apostoli, V Balzani, JF Stoddart
Chemistry
(2004)
10