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- Currently displaying 20221 - 20240 of 29541 publications
Dipotassium hexakis({2,2′-[ethane-1,2-diyl-bis(nitrilomethylidyne)]diphenolato} nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate
– Acta Crystallographica Section E Structure Reports Online
(2004)
61,
M135
(doi: 10.1107/S160053680403154X)
Archetypal energy landscapes: dynamical diagnosis.
– The Journal of Chemical Physics
(2004)
122,
024103
(doi: 10.1063/1.1829633)
Investigating the effects of mutations on protein aggregation in the cell.
– J Biol Chem
(2004)
280,
10607
(doi: 10.1074/jbc.M412951200)
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
– The Journal of chemical physics
(2004)
122,
14515
(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)
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O-3 profile sounding
– Journal of environmental monitoring : JEM
(2004)
7,
158
(doi: 10.1039/b412184h)
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 nu(2) fundamental band of the methyl radical
– The Journal of Chemical Physics
(2004)
122,
14306
(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 Crystallogr C
(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 [2x2] Copper(I) grid
– Angewandte Chemie International Edition
(2004)
43,
6724
(doi: 10.1002/anie.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?.
– J. Chem. Inf. Model.
(2004)
45,
81
(doi: 10.1021/ci0497657)
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.
– Org Biomol Chem
(2004)
3,
274
(doi: 10.1039/b411350k)