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  • Currently displaying 20541 - 20560 of 29681 publications
Author(s)
Publication title
Journal Name
Publication year
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 nu2 fundamental band of the methyl radical.
GD Stancu, J Röpcke, PB Davies
Journal of Chemical Physics
(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
Scientific biography - Nicholas Charles Handy
NC Handy
Molecular Physics
(2004)
102
Speed-up of Monte Carlo simulations by sampling of rejected states.
D Frenkel
Proc Natl Acad Sci U S A
(2004)
101
The hydrophobic effect as a driving force in the self-assembly of a [2 x 2] copper(I) grid.
JR Nitschke, M Hutin, G Bernardinelli
Angewandte Chemie International Edition
(2004)
43
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
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?.
KMN de Silva, JM Goodman
J. Chem. Inf. Model.
(2004)
45
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
Total synthesis of the Fusarium toxin equisetin
LT Burke, DJ Dixon, SV Ley, F Rodríguez
Organic and Biomolecular Chemistry
(2004)
3
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 N 2, O 2, O 3, OH, H 2O, HO 2, and H 2O 2
R Vácha, P Slavíček, M Mucha, BJ Finlayson-Pitts, P Jungwirth
Journal of Physical Chemistry A
(2004)
108
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
13C and 2D WISE 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
(2004)
49
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 (Weinheim an der Bergstrasse, Germany)
(2004)
10
Vertical transport and degradation of polycyclic aromatic hydrocarbons in an Alpine Valley
M Kalberer, S Henne, ASH Prevot, M Steinbacher
Atmospheric Environment
(2004)
38
Ternary half-metallics and related binary compounds: Stoichiometry, surface states, and spin - art. no. 245401
SJ Jenkins
Physical Review B Condensed Matter and Materials Physics
(2004)
70