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- Currently displaying 21421 - 21440 of 30660 publications
Speed-up of Monte Carlo simulations by sampling of rejected states
Proceedings of the National Academy of Sciences of the United States of America
(2004)
101
17571
(doi: 10.1073/pnas.0407950101)
The molecular physics lecture 2004: (i) Density functional theory, (ii) Quantum Monte Carlo
Molecular Physics
(2004)
102
2399
(doi: 10.1080/00268970412331293848)
The hydrophobic effect as a driving force in the self-assembly of a [2 x 2] copper(I) grid.
Angew Chem Int Ed Engl
(2004)
43
6724
(doi: 10.1002/anie.200461308)
The Hydrophobic Effect as a Driving Force in the Self‐Assembly of a [2×2] Copper(I) Grid
Angewandte Chemie
(2004)
116
6892
(doi: 10.1002/ange.200461308)
Reactions of potent antitumor complex trans-[RuIIICl4(indazole)2]-with a DNA-relevant nucleobase and thioethers: Insight into biological action
Inorganic chemistry
(2004)
44
122
(doi: 10.1021/ic048967h)
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?.
Journal of chemical information and modeling
(2004)
45
{81-87}
(doi: 10.1021/ci0497657)
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
Journal of Physical Chemistry A
(2004)
108
11573
(doi: 10.1021/jp046268k)
Molecular Dynamics Simulations of GlpF in a Micelle vs in a Bilayer: Conformational Dynamics of a Membrane Protein as a Function of Environment
J Phys Chem B
(2004)
109
575
(doi: 10.1021/jp046727h)
Phi value versus psi analysis.
Proceedings of the National Academy of Sciences of the United States of America
(2004)
101
17327
(doi: 10.1073/pnas.0407863101)
A second-generation total synthesis of (+)-discodermolide: the development of a practical route using solely substrate-based stereocontrol.
The Journal of organic chemistry
(2004)
70
150
(doi: 10.1021/jo048534w)
Nickel formate route to growth of carbon nanotubes
Journal of Physical Chemistry B
(2004)
108
18446
(doi: 10.1021/jp047898p)
13C and 2DWISE NMR studies of the host mobility in two aromatic complexes of p-tert-butyl-calixarene
Journal of Inclusion Phenomena
(2004)
49
211
Characterisation and evaluation of hypothetical zeolite frameworks
Studies in Surface Science and Catalysis
(2004)
154
1222
Ternary half-metallics and related binary compounds: Stoichiometry, surface states, and spin
Physical Review B
(2004)
70
245401
(doi: 10.1103/physrevb.70.245401)
Controllable donor-acceptor neutral [2]rotaxanes
Chemistry (Weinheim an der Bergstrasse, Germany)
(2004)
10
6375
(doi: 10.1002/chem.200400651)
Vertical transport and degradation of polycyclic aromatic hydrocarbons in an Alpine Valley
Atmospheric Environment
(2004)
38
6447
Self-organized photonic structures in polymer light-emitting diodes
Advanced Materials
(2004)
16
1908
(doi: 10.1002/adma.200400316)
Designing specificity of protein-substrate interactions
Physical Review E
(2004)
70
051917
(doi: 10.1103/physreve.70.051917)
