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  • Currently displaying 18441 - 18460 of 29636 publications
Author(s)
Publication title
Journal Name
Publication year
Exploring energy landscapes with explicit and implicit water
DJ Wales
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
ORGN 20-Phase transfer dynamic combinatorial chemistry
R Perez-Fernandez, JKM Sanders
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
ENVR 154-Photoenhanced HONO production on atmospherically relevant mineral surfaces
RJ Gustafsson, A Orlov, PT Griffiths, RA Cox, RM Lambert
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
PHYS 342-Heterogeneous asymmetric hydrogenation of C=C bonds
DJ Watson, RBR John-Jesudason, AI McIntosh, DC Madden, JW Burton, RM Lambert
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
ABSTR PAP AM CHEM S
(2007)
234
INOR 358-Binucleating hexaanionic cryptand ligands to engender O-O bond formation
GE Alliger, R Fu, B Breiner, DG Nocera, CC Cummins
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
ORGN 254-Studies toward the synthesis of neolaulimalide and laulimalide
I Paterson, JK Hutchinson, A Longstaff
ABSTR PAP AM CHEM S
(2007)
234
ORGN 261-Studies toward the total synthesis of the brasilinolides
I Paterson, PM Burton, F Muehlthau
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Side effect profile prediction: Computational tackling of big pharma's worst nightmare at an early stage
J Scheiber, JL Jenkins, A Bender, S Whitebread, J Hamon, L Urban, K Azzaoui, JH Nettles, M Glick, JW Davies
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COLL 215-Switching on the dipole: A new principle for the self-assembly of asymmetric monomers on metal surfaces
OPH Vaughan, A Alavi, FJ Williams, RM Lambert
ABSTR PAP AM CHEM S
(2007)
234
COMP 69-Is the surface of neat water neutral, acidic, or basic?
R Vacha, V Buch, A Milet, JP Devlin, P Jungwirth
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
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
ABSTR PAP AM CHEM S
(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
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
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
ORGN 41-Quinoline oligoamide macrocycle: Selective G quadruplex binding ligand
PS Shirude, E Gillies, S Ladame, F Godde, I Huc, B Okumus, C Joo, S Balasubramanian
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234