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  • Currently displaying 18461 - 18480 of 29659 publications
Author(s)
Publication title
Journal Name
Publication year
Can crystal structure prediction predict whether a salt or a cocrystal will be formed?
KE Hejczyk, GM Day, W Jones
Acta Crystallographica Section A Foundations of Crystallography
(2007)
63
Fluctuation-dissipation ratios in the dynamics of self-assembly.
RL Jack, MF Hagan, D Chandler
Physical Review E
(2007)
76
Optical Absorption of a Green Fluorescent Protein Variant:  Environment Effects in a Density Functional Study
C Camilloni, D Provasi, G Tiana, RA Broglia
The journal of physical chemistry. B
(2007)
111
Can marcus theory be applied to redox processes in ionic liquids? A comparative simulation study of dimethylimidazolium liquids and acetonitrile
RM Lynden-Bell
The journal of physical chemistry. B
(2007)
111
Multimodel projections of stratospheric ozone in the 21st century
V Eyring, DW Waugh, GE Bodeker, E Cordero, H Akiyoshi, J Austin, SR Beagley, BA Boville, P Braesicke, C Brühl, N Butchart, MP Chipperfield, M Dameris, R Deckert, M Deushi, SM Frith, RR Garcia, A Gettelman, MA Giorgetta, DE Kinnison, E Mancini, E Manzini, DR Marsh, S Matthes, T Nagashima, PA Newman, JE Nielsen, S Pawson, G Pitari, DA Plummer, E Rozanov, M Schraner, JF Scinocca, K Semeniuk, TG Shepherd, K Shibata, B Steil, RS Stolarski, W Tian, M Yoshiki
Journal of Geophysical Research Atmospheres
(2007)
112
A sequential enantioselective, organocatalytic route to chiral 1,2-oxazines and chiral pyridazines
S Kumarn, AJ Oelke, DM Shaw, DA Longbottom, SV Ley
Org Biomol Chem
(2007)
5
Natural Products as an Inspiration for the Discovery of New High‐Throughput Chemical Synthesis Tools
SV Ley, IR Baxendale, DA Longbottom, RM Myers
(2007)
2
Short, Facile, and High‐Yielding Synthesis of Extremely Efficient Pincer‐Type Suzuki Catalysts Bearing Aminophosphine Substituents
JL Bolliger, O Blacque, CM Frech
Angewandte Chemie (International ed. in English)
(2007)
46
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
ABSTR PAP AM CHEM S
(2007)
234
PHYS 342-Heterogeneous asymmetric hydrogenation of C=C bonds
DJ Watson, RBR John-Jesudason, AI McIntosh, DC Madden, JW Burton, RM Lambert
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
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
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 857-Supramolecular functionalization: A method to construct and decorate isoreticular metal-organic frameworks
CL Mertzenich, GS Papaefstathiou, T Friscic, DC Swenson, LR MacGillivray
ABSTR PAP AM CHEM S
(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
Crosslinking polymer brushes for the fabrication of quasi-2-D "micro-objects"
JE Comrie, WTS Huck
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
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 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
Exploring energy landscapes with explicit and implicit water
DJ Wales
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234