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- Currently displaying 20641 - 20660 of 29870 publications
The molecular physics lecture 2004: (i) Density functional theory, (ii) Quantum Monte Carlo
Molecular Physics
(2004)
102
2399
(doi: 10.1080/00268970412331293848)
Speed-up of Monte Carlo simulations by sampling of rejected states.
Proceedings of the National Academy of Sciences
(2004)
101
17571
(doi: 10.1073/pnas.0407950101)
The hydrophobic effect as a driving force in the self-assembly of a [2 × 2] copper(I) grid
Angewandte Chemie International Edition
(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)
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?.
J Chem Inf Model
(2004)
45
{81-87}
(doi: 10.1021/ci0497657)
Reactions of Potent Antitumor Complextrans-[RuIIICl4(indazole)2]-with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action
Inorganic Chemistry
(2004)
44
122
(doi: 10.1021/ic048967h)
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
The 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
The Journal of Physical Chemistry B
(2004)
109
575
(doi: 10.1021/jp046727h)
Phi value versus psi analysis
Proceedings of the National Academy of Sciences
(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 and Macrocyclic Chemistry
(2004)
49
211
Vertical transport and degradation of polycyclic aromatic hydrocarbons in an Alpine Valley
Atmospheric Environment
(2004)
38
6447
Controllable Donor–Acceptor Neutral [2]Rotaxanes
Chemistry (Weinheim an der Bergstrasse, Germany)
(2004)
10
6375
(doi: 10.1002/chem.200400651)
Ternary half-metallics and related binary compounds: Stoichiometry, surface states, and spin - art. no. 245401
Physical Review B
(2004)
70
1
(doi: 10.1103/PhysRevB.70.245401)
Characterisation and evaluation of hypothetical zeolite frameworks
Studies in Surface Science and Catalysis
(2004)
154
1222
Designing specificity of protein-substrate interactions.
Phys Rev E Stat Nonlin Soft Matter Phys
(2004)
70
8
(doi: 10.1103/physreve.70.051917)
