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  • Currently displaying 19981 - 20000 of 29877 publications
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J Klinowski, FA Paz, R Bell
Chemistry and Industry London
(2005)
Editorial: A Tribute to Michele Parrinello: From Physics via Chemistry to Biology
W Andreoni, D Marx, M Sprik
Chemphyschem : a European journal of chemical physics and physical chemistry
(2005)
6
From concentration profiles to polymer osmotic equations of state.
CI Addison, J-P Hansen, AA Louis
ChemPhysChem
(2005)
6
Virtual-move parallel tempering
I Coluzza, D Frenkel
Chemphyschem
(2005)
6
Quantum diffusion of hydrogen and isotopes in metals.
M Dyer, C Zhang, A Alavi
Chemphyschem : a European journal of chemical physics and physical chemistry
(2005)
6
On the Position of the Highest Occupied Molecular Orbital in Aqueous Solutions of Simple Ions
P Hunt, M Sprik
ChemPhysChem
(2005)
6
Lattice Monte Carlo Simulations of the Gyroid Phase in Monodisperse and Bidisperse Block Copolymer Systems
FJ Martínez-Veracoechea, FA Escobedo
Macromolecules
(2005)
38
Catalyst-induced changes in a substituted aromatic: A combined approach via experiment and theory
YP Tan, S Khatua, SJ Jenkins, J-Q Yu, JB Spencer, DA King
Surface Science
(2005)
589
Evaluation of different techniques for particle size distribution measurements on laser-generated aerosols
H-R Kuhn, J Koch, R Hergenröder, K Niemax, M Kalberer, D Günther
Journal of Analytical Atomic Spectrometry
(2005)
20
High-resolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the Li2MnO3–Li[Ni1/2Mn1/2]O2 solid solution
J Bréger, M Jiang, N Dupré, YS Meng, Y Shao-Horn, G Ceder, CP Grey
Journal of Solid State Chemistry
(2005)
178
Inverse coordination of an ionic lattice by a metal host.
MJ Duer, F García, RA Kowenicki, V Naseri, M McPartlin, ML Stead, RS Stein, DS Wright
Angewandte Chemie International Edition
(2005)
44
Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells.
C Pinilla, MG Del Pópolo, RM Lynden-Bell, J Kohanoff
The Journal of Physical Chemistry B
(2005)
109
Stretching the Frontiers: Exploring the Relationships Between Entrepreneurship and Ethics
O Fisscher, D Frenkel, Y Lurie, A Nijhof
Journal of Business Ethics
(2005)
60
Corrigendum to “Bis-bidentate bridging ligands containing two N,O-chelating pyrazolyl-phenolate units; double helical complexes with Co(II), Cu(II) and Zn(II)” [Inorg. Chim. Acta 358 (2005) 1943–1954]
TK Ronson, H Adams, MD Ward
Inorganica Chimica Acta
(2005)
358
Discussion of measures of enrichment in virtual screening: Comparing the information content of descriptors with increasing levels of sophistication
A Bender, RC Glen
J CHEM INF MODEL
(2005)
45
Osteogenic transcription factor Runx2 is required for maternal induction of ventral fate in zebrafish: A case for conserved mechanisms in bone formation and dorsoventral patterning
MV Flores, EYN Lam, PS Crosier, KE Crosier
MECHANISMS OF DEVELOPMENT
(2005)
122
Intramolecular general acid catalysis of sulfate transfer - Nucleophilic attack by oxyanions on the SO3- group
AJ Kirby, JC Gesser, F Hollfelder, JP Priebe, F Nome
Canadian Journal of Chemistry
(2005)
83
Targeting nucleic acid secondary structures with polyamides using an optimized dynamic combinatorial approach.
S Ladame, AM Whitney, S Balasubramanian
Angewandte Chemie (International ed. in English)
(2005)
44
Characterisation of disulfide-bond dynamics in non-native states of lysozyme and its disulfide deletion mutants by NMR
ES Collins, J Wirmer, K Hirai, H Tachibana, S-I Segawa, CM Dobson, H Schwalbe
Chembiochem : a European journal of chemical biology
(2005)
6
Inverse Coordination of an Ionic Lattice by a Metal Host
MJ Duer, F García, RA Kowenicki, V Naseri, M McPartlin, ML Stead, RS Stein, DS Wright
Angewandte Chemie
(2005)
117