Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 20521 - 20540 of 29670 publications
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water - art. no. 014515
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
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
(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
(doi: 10.1021/cm048764r)
The Energy Landscape as a Unifying Theme in Molecular Science
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(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
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 Crystallographica Section C: Structural Chemistry
(2004)
61
o32
(doi: 10.1107/s0108270104029671)
Scientific biography - Nicholas Charles Handy
Molecular Physics
(2004)
102
2395
(doi: 10.1080/00268970412331303750)
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)
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 ed. in English)
(2004)
43
6724
(doi: 10.1002/anie.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-[RuIIICl 4(indazole)2]- with a DNA-relevant nucleobase and thioethers: Insight into biological action
Inorg Chem
(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 N2, O2, O3, OH, H2O, HO2, and H2O2
Journal of Physical Chemistry A
(2004)
108
11573
(doi: 10.1021/jp046268k)
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)
