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  • Currently displaying 16841 - 16860 of 29917 publications
Author(s)
Publication title
Journal Name
Publication year
Density functional molecular dynamics calculation of the dissociation constant of liquid water
M Sulpizi, M Sprik
ABSTR PAP AM CHEM S
(2009)
238
CINF 18-Reliable reactions and stable structures
JM Goodman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
238
Studies toward a total synthesis of the aplyronines
LYW Lee, SJ Atkinson, SJ Fink, SB Blakey, I Paterson
ABSTR PAP AM CHEM S
(2009)
238
Density functional characterization of the acidity and redox activity of solid oxide-water interfaces
J Cheng, M Sulpizi, M Sprik
ABSTR PAP AM CHEM S
(2009)
238
Implementation of coarse-grained models for molecular simulation on GPU architecture
I Tunbridge, RB Best, MM Kuttel
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
238
CATL 1-Catalyst characterization
JA Rodriguez, PJ Chupas, CP Grey
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
238
Development of inhibitors for Mycobacterium tuberculosis pantothenate synthetase using a fragment-based approach
AW Hung, L Silvestre, A Ciulli, S Wen, TL Blundell, C Abell
ABSTR PAP AM CHEM S
(2009)
238
BIOT 177-Mechanism of formation and structural characterization of lysozyme amyloid fibrils
A Dhulesia, MF Mossuto, JR Kumita, X Salvatella, CM Dobson
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
238
Development of fluorination methods using continuous-flow microreactors
M Baumann, IR Baxendale, LJ Martin, SV Ley
Tetrahedron
(2009)
65
A condensation-ordering mechanism in nanoparticle-catalyzed peptide aggregation.
S Auer, A Trovato, M Vendruscolo
PLOS Computational Biology
(2009)
5
On the Mechanism of Nonspecific Inhibitors of Protein Aggregation: Dissecting the Interactions of α-Synuclein with Congo Red and Lacmoid
C Lendel, CW Bertoncini, N Cremades, CA Waudby, M Vendruscolo, CM Dobson, D Schenk, J Christodoulou, G Toth
Biochemistry
(2009)
48
ChemInform Abstract: Hydrazine Borane: A Promising Hydrogen Storage Material.
T Huegle, MF Kuehnel, D Lentz
ChemInform
(2009)
40
The dispersion of vibrational excitations in vitreous silica
SN Taraskin, SR Elliott
Philosophical Magazine B
(2009)
77
Adaptive Evolution of p53 Thermodynamic Stability
KH Khoo, A Andreeva, AR Fersht
Journal of Molecular Biology
(2009)
393
Functionalisation of polyHIPE Materials by ATRP Surface Grafting
DM Cummins, PCMM Magusin, A Heise
(2009)
1023
Unnatural rigid scaffolds targeting the bacterial ribosome.
IA Katsoulis, C Pyrkotis, A Papakyriakou, G Kythreoti, AL Zografos, I Mavridis, VR Nahmias, P Anastasopoulou, D Vourloumis
Chembiochem : a European journal of chemical biology
(2009)
10
Dynamics of water adsorption on Pt{110}-(1×2): A molecular dynamics study
T Panczyk, V Fiorin, R Blanco-Alemany, DA King
J Chem Phys
(2009)
131
Searching for Microporous, Strongly Basic Catalysts: Experimental and Calculated 29Si NMR Spectra of Heavily Nitrogen-Doped Y Zeolites
F Dogan, KD Hammond, GA Tompsett, H Huo, WC Conner, SM Auerbach, CP Grey
Journal of the American Chemical Society
(2009)
131
On structural correlations in the percolation of hard-core particles.
MA Miller
The Journal of Chemical Physics
(2009)
131
A gold-catalyzed cascade reaction involving an unusual intramolecular redox process
J Barluenga, A Fernández, F Rodríguez, FJ Fañanás
Chemistry – A European Journal
(2009)
15