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  • Currently displaying 18981 - 19000 of 30279 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 and advances
(2007)
63
Predicting and engineering inclusion frameworks
AJC Cabeza, GM Day, WDS Motherwell, 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 Statistical Nonlinear and Soft Matter Physics
(2007)
76
An overview of snow photochemistry:: evidence, mechanisms and impacts
AM Grannas, AE Jones, J Dibb, M Ammann, C Anastasio, HJ Beine, M Bergin, J Bottenheim, CS Boxe, G Carver, G Chen, JH Crawford, F Dominé, MM Frey, MI Guzmán, DE Heard, D Helmig, MR Hoffmann, RE Honrath, LG Huey, M Hutterli, HW Jacobi, P Klán, B Lefer, J McConnell, J Plane, R Sander, J Savarino, PB Shepson, WR Simpson, JR Sodeau, R von Glasow, R Weller, EW Wolff, T Zhu
Atmospheric Chemistry and Physics
(2007)
7
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
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
Organic & biomolecular chemistry
(2007)
5
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 Edition
(2007)
46
Natural Products as an Inspiration for the Discovery of New High-Throughput Chemical Synthesis Tools, in Drug Discovery and Development: Drug Development
SV Ley, IR Baxendale, DA Longbottom, RM Myers
(2007)
2
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 20-Phase transfer dynamic combinatorial chemistry
R Perez-Fernandez, JKM Sanders
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
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 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
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
Exploring energy landscapes with explicit and implicit water
DJ Wales
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
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