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  • Currently displaying 19361 - 19380 of 30651 publications
Author(s)
Publication title
Journal Name
Publication year
COMP 69-Is the surface of neat water neutral, acidic, or basic?
R Vacha, V Buch, A Milet, JP Devlin, P Jungwirth
ABSTR PAP AM CHEM S
(2007)
234
COMP 158-Automated combinatorial alignment for 3-D similarity searching
JH Nettles, JL Jenkins, Z Deng, A Bender, JW Davies, M Glick
ABSTR PAP AM CHEM S
(2007)
234
COMP 492-Caught in atomistic detailed action: Modeling of protein-G monomers forming oligomers
JM Bui, J Gsponer, JC Wooley, M Vendruscolo, JA McCammon, CM Dobson
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 495-Tautomers, conformers, and computation of chemical similarity
JH Nettles, JL Jenkins, Z Deng, A Bender, J Scheiber, JW Davies, M Glick
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Exploring energy landscapes with explicit and implicit water
DJ Wales
ABSTR PAP AM CHEM S
(2007)
234
PHYS 97-Density functional based molecular dynamics simulation of the aqueous hydroxyl and thiyl radical
M Sprik, C Adriaanse, M Sulpizi, J VandeVondele
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
M Sprik, R Ayala, J VandeVondele
ABSTR PAP AM CHEM S
(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
Y Tateyama, J Blumberger, T Ohno, M Sprik
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Crosslinking polymer brushes for the fabrication of quasi-2-D "micro-objects"
JE Comrie, WTS Huck
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
E Reisner, SJ Lippard
ABSTR PAP AM CHEM S
(2007)
234
INOR 857-Supramolecular functionalization: A method to construct and decorate isoreticular metal-organic frameworks
CL Mertzenich, GS Papaefstathiou, T Friscic, DC Swenson, LR MacGillivray
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
INOR 358-Binucleating hexaanionic cryptand ligands to engender O-O bond formation
GE Alliger, R Fu, B Breiner, DG Nocera, CC Cummins
ABSTR PAP AM CHEM S
(2007)
234
INOR 899-Electron-transfer activation of anionic ruthenium(III) anticancer drugs
E Reisner, VB Arion, BK Keppler, AJL Pombeiro
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Unexpected relaxation dynamics of a self-avoiding polymer in cylindrical confinement
A Arnold, B Bozorgui, D Frenkel, B-Y Ha, S Jun
(2007)
The derivation of hydrogen‐containing radical concentrations from satellite data sets
JA Pyle, AM Zavody
Quarterly Journal of the Royal Meteorological Society
(2007)
111
Transmission of Binding Information across Lipid Bilayers
HP Dijkstra, JJ Hutchinson, CA Hunter, H Qin, S Tomas, SJ Webb, NH Williams
Chemistry (Weinheim an der Bergstrasse, Germany)
(2007)
13
Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics
MT Cvitas, SC Althorpe
Computer Physics Communications
(2007)
177
The nucleation of inosine: The impact of solution chemistry on the appearance of polymorphic and hydrated crystal forms
RA Chiarella, AL Gillon, RC Burton, RJ Davey, G Sadiq, A Auffret, M Cioffi, CA Hunter
Faraday Discuss
(2007)
136
Interactions of 4-Chlorophenol with TiO2 Polycrystalline Surfaces: A Study of Environmental Interfaces by NEXAFS, XPS, and UPS
A Orlov, DJ Watson, FJ Williams, M Tikhov, RM Lambert
Langmuir
(2007)
23
NMR, PDF and RMC study of the positive electrode material Li(Ni0.5Mn0.5) O-2 synthesized by ion-exchange methods
J Bréger, K Kang, J Cabana, G Ceder, CP Grey
Journal of Materials Chemistry
(2007)
17