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- Currently displaying 18041 - 18060 of 29393 publications
PHYS 97-Density functional based molecular dynamics simulation of the aqueous hydroxyl and thiyl radical
– ABSTR PAP AM CHEM S
(2007)
234,
Side effect profile prediction: Computational tackling of big pharma's worst nightmare at an early stage
– ABSTR PAP AM CHEM S
(2007)
234,
Crosslinking polymer brushes for the fabrication of quasi-2-D "micro-objects"
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234,
PHYS 31-Redox free energies and one-electron energy levels from density functional theory based molecular dynamics
– ABSTR PAP AM CHEM S
(2007)
234,
ORGN 121-Toward the total synthesis of azadirachtin
– ABSTR PAP AM CHEM S
(2007)
234,
The derivation of hydrogen‐containing radical concentrations from satellite data sets
– Quarterly Journal of the Royal Meteorological Society
(2007)
111,
993
(doi: 10.1002/qj.49711146605)
Transmission of Binding Information across Lipid Bilayers
– Chemistry - A European Journal
(2007)
13,
7215
(doi: 10.1002/chem.200601723)
Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics
– Computer Physics Communications
(2007)
177,
357
(doi: 10.1016/j.cpc.2007.05.002)
NMR, PDF and RMC study of the positive electrode material Li(Ni0.5Mn0.5) O2 synthesized by ion-exchange methods
– Journal of Materials Chemistry
(2007)
17,
{3167-3174}
(doi: 10.1039/b702745a)
Cocrystal architecture and properties: design and building of chiral and racemic structures by solid–solid reactions
– Faraday Discuss
(2007)
136,
167
(doi: 10.1039/b616399h)
Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope’
– Faraday Discuss
(2007)
136,
287
(doi: 10.1039/b616689j)
The nucleation of inosine: The impact of solution chemistry on the appearance of polymorphic and hydrated crystal forms
– Faraday Discuss
(2007)
136,
179
(doi: 10.1039/b616164m)
Interactions of 4-chlorophenol with TiO2 polycrystalline surfaces: a study of environmental interfaces by NEXAFS, XPS, and UPS.
– Langmuir
(2007)
23,
9551
(doi: 10.1021/la7012792)
Comparative biophysical characterization of p53 with the pro-apoptotic BAK and the anti-apoptotic BCL-xL
– J Biol Chem
(2007)
282,
29193
(doi: 10.1074/jbc.m705544200)
The glass transition temperatures of amorphous trehalose–water mixtures and the mobility of water: an experimental and in silico study
– Carbohydrate Research
(2007)
342,
1470
(doi: 10.1016/j.carres.2007.04.01)
Total synthesis of (-)-reidispongiolide A, an actin-targeting marine macrolide.
– Angewandte Chemie International Edition
(2007)
46,
6167
(doi: 10.1002/anie.200702178)
CAESAR: a new conformer generation algorithm based on recursive buildup and local rotational symmetry consideration.
– Journal of chemical information and modeling
(2007)
47,
1923
(doi: 10.1021/ci700136x)
Chiral glycolate equivalents for the asymmetric synthesis of α-hydroxycarbonyl compounds
– Bulletin of the Chemical Society of Japan
(2007)
80,
1451
(doi: 10.1246/bcsj.80.1451)
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system.
– J Chem Phys
(2007)
127,
064304
(doi: 10.1063/1.2749251)
Organic Synthesis in Water: 1,3‐Dipolar Cycloaddition Reactions at Ambient Temperature with Aqueous Suspensions of Solid Reactants.
– ChemInform
(2007)
38,
no
(doi: 10.1002/chin.200735153)