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- Currently displaying 21161 - 21180 of 30391 publications
Speed-up of Monte Carlo simulations by sampling of rejected states.
Proc Natl Acad Sci U S A
(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)
Scientific biography - Nicholas Charles Handy
Molecular Physics
(2004)
102
2395
(doi: 10.1080/00268970412331303750)
The hydrophobic effect as a driving force in the self-assembly of a [2 × 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)
What is the smallest saturated acyclic alkane that cannot be made?
Journal of chemical information and modeling
(2004)
45
81
(doi: 10.1021/ci0497657)
Reactions of potent antitumor complex trans-[Ru(III)Cl4(indazole)2]- with a DNA-relevant nucleobase and thioethers: insight into biological action.
Inorg Chem
(2004)
44
122
(doi: 10.1021/ic048967h)
Total synthesis of the Fusarium toxin equisetin.
Organic & Biomolecular Chemistry
(2004)
3
274
(doi: 10.1039/b411350k)
Adsorption of atmospherically relevant gases at the air/water interface: Free energy profiles of aqueous solvation of N-2, O-2, O-3, 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
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 the 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 - A European Journal
(2004)
10
6375
(doi: 10.1002/chem.200400651)
Ternary half-metallics and related binary compounds: Stoichiometry, surface states, and spin
Physical Review B Condensed Matter and Materials Physics
(2004)
70
245401
(doi: 10.1103/physrevb.70.245401)
Characterisation and evaluation of hypothetical zeolite frameworks
Studies in Surface Science and Catalysis
(2004)
154 B
1222
Designing specificity of protein-substrate interactions.
Physical Review E Statistical Physics Plasmas Fluids and Related Interdisciplinary Topics
(2004)
70
051917
(doi: 10.1103/physreve.70.051917)
