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  • Currently displaying 19421 - 19440 of 30704 publications
Author(s)
Publication title
Journal Name
Publication year
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
JL Jenkins, A Bender, D Mikhailov
ABSTR PAP AM CHEM S
(2007)
234
Theoretical study of selectivity in olefins partial oxidation
D Torres, F Illas, N Lopez, RM Lambert
ACS National Meeting Book of Abstracts
(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 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
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
Template-directed solid-state synthesis: Toward alternative hydrogen-bond acceptors to pyridines
P Kaushik, T Friscic, LR MacGillivray
ABSTR PAP AM CHEM S
(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
ABSTR PAP AM CHEM S
(2007)
234
ORGN 260-Studies toward the total synthesis of reidispongiolide A
I Paterson, G Cecere, GJ Florence, G Chouraqui, J Stafford, K Ashton, R Britton
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 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
ABSTR PAP AM CHEM S
(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
Exploring energy landscapes with explicit and implicit water
DJ Wales
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)
Transmission of binding information across lipid bilayers.
HP Dijkstra, JJ Hutchinson, CA Hunter, H Qin, S Tomas, SJ Webb, NH Williams
Chemistry – A European Journal
(2007)
13
The derivation of hydrogen‐containing radical concentrations from satellite data sets
JA Pyle, AM Zavody
Quarterly Journal of the Royal Meteorological Society
(2007)
111
Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics
MT Cvitas, SC Althorpe
Computer Physics Communications
(2007)
177
Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope’
A Michaelides
Faraday Discuss
(2007)
136
Cocrystal architecture and properties: Design and building of chiral and racemic structures by solid-solid reactions
T Friscić, W Jones
Faraday Discuss
(2007)
136
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