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- Currently displaying 20141 - 20160 of 29281 publications
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions.
The Journal of chemical physics
(2004)
121
11885
(doi: 10.1063/1.1818676)
Synthesis and Structure Determination of a New Organically Templated Scandium Fluorophosphate Framework and Its Indium Analogue
Chemistry of Materials
(2004)
16
5350
(doi: 10.1021/cm048764r)
The Energy Landscape as a Unifying Theme in Molecular Science
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(2004)
363
357
(doi: 10.1098/rsta.2004.1497)
Line strengths and transition dipole moment of the nu(2) fundamental band of the methyl radical
The Journal of chemical physics
(2004)
122
014306
(doi: 10.1063/1.1812755)
Resolution of (S,S)-4-(2,2,4-trimethyl-chroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization
Acta Crystallographica Section C: Structural Chemistry
(2004)
61
o32
(doi: 10.1107/S0108270104029671)
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 of the United States of America
(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
(2004)
116
6892
(doi: 10.1002/ange.200461308)
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)
What is the smallest saturated acyclic alkane that cannot be made?
J. Chem. Inf. Model.
(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.
Inorganic chemistry
(2004)
44
122
(doi: 10.1021/ic048967h)
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)
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
The Journal of Physical Chemistry A
(2004)
108
11573
(doi: 10.1021/jp046268k)
Total synthesis of the Fusarium toxin equisetin
Organic & biomolecular chemistry
(2004)
3
274
(doi: 10.1039/b411350k)
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
J Org Chem
(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
