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- Currently displaying 19841 - 19860 of 31135 publications
COMP 495-Tautomers, conformers, and computation of chemical similarity
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Exploring energy landscapes with explicit and implicit water
ABSTR PAP AM CHEM S
(2007)
234
PHYS 97-Density functional based molecular dynamics simulation of the aqueous hydroxyl and thiyl radical
ABSTR PAP AM CHEM S
(2007)
234
PHYS 31-Redox free energies and one-electron energy levels from density functional theory based molecular dynamics
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
PHYS 99-Water addition along with reduction of aqueous ruthenium complexes by ab initio free energy calculation method for bond breaking/formation coupled to electron transfer
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
INOR 472-Synthesis and characterization of a planar tetranuclear iron(II) complex and its conversion into linear triiron and paddlewheel diiron complexes
ABSTR PAP AM CHEM S
(2007)
234
INOR 857-Supramolecular functionalization: A method to construct and decorate isoreticular metal-organic frameworks
ABSTR PAP AM CHEM S
(2007)
234
INOR 358-Binucleating hexaanionic cryptand ligands to engender O-O bond formation
ABSTR PAP AM CHEM S
(2007)
234
INOR 899-Electron-transfer activation of anionic ruthenium(III) anticancer drugs
ABSTR PAP AM CHEM S
(2007)
234
Theoretical study of selectivity in olefins partial oxidation
ACS National Meeting Book of Abstracts
(2007)
234
ENVR 154-Photoenhanced HONO production on atmospherically relevant mineral surfaces
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement
(2007)
(doi: 10.48550/arxiv.0708.2099)
Transmission of Binding Information across Lipid Bilayers
Chemistry (Weinheim an der Bergstrasse, Germany)
(2007)
13
7215
(doi: 10.1002/chem.200601723)
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.49711147005)
Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics
Computer Physics Communications
(2007)
177
357
(doi: 10.1016/j.cpc.2007.05.002)
Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope’
Faraday discussions
(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)
Comparative Biophysical Characterization of p53 with the Pro-apoptotic BAK and the Anti-apoptotic BCL-xL *
The Journal of biological chemistry
(2007)
282
29193
(doi: 10.1074/jbc.M705544200)
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)
