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- Currently displaying 20521 - 20540 of 29849 publications
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)
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O3 profile sounding
Environmental Science Processes & Impacts
(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.
Phil. Trans. Roy. Soc. A
(2004)
363
357-377
(doi: 10.1098/rsta.2004.1497)
Line strengths and transition dipole moment of the nu2 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-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.
Proceedings of the National Academy of Sciences
(2004)
101
17571
(doi: 10.1073/pnas.0407950101)
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
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
Angew Chem Int Ed Engl
(2004)
43
6724
(doi: 10.1002/anie.200461308)
Reactions of potent antitumor complex trans-[RuIIICl 4(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?.
Journal of Chemical Information and Modeling
(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.
Organic and 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 N2, O2, O3, OH, H2O, HO2, and H2O2
The Journal of Physical Chemistry A
(2004)
108
11573
(doi: 10.1021/jp046268k)
Φ value versus ψ 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)
