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- Currently displaying 20121 - 20140 of 29256 publications
Archetypal energy landscapes: dynamical diagnosis.
J Chem Phys
(2004)
122
024103
(doi: 10.1063/1.1829633)
Investigating the effects of mutations on protein aggregation in the cell
Journal of Biological Chemistry
(2004)
280
10607
(doi: 10.1074/jbc.m412951200)
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O-3 profile sounding
J Environ Monit
(2004)
7
158
(doi: 10.1039/b412184h)
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
Journal of Chemical Physics
(2004)
122
014515
(doi: 10.1063/1.1828433)
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
{5350-5356}
(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 ν2 fundamental band of the methyl radical - art. no. 014306
J Chem Phys
(2004)
122
14306
(doi: 10.1063/1.1812755)
Resolution of (S,S)-4-(2,2,4-trimethylchroman-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
Proc Natl Acad Sci U S A
(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 × 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
{81-87}
(doi: 10.1021/ci0497657)
Reactions of Potent Antitumor Complextrans-[RuIIICl4(indazole)2]-with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action
Inorg Chem
(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
J Phys Chem B
(2004)
109
575
(doi: 10.1021/jp046727h)
Total synthesis of the Fusarium toxin equisetin
Organic and Biomolecular Chemistry
(2004)
3
274
(doi: 10.1039/b411350k)
