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  • Currently displaying 20081 - 20100 of 29869 publications
Author(s)
Publication title
Journal Name
Publication year
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
(2005)
6
On the position of the highest occupied molecular orbital in aqueous solutions of simple ions
P Hunt, M Sprik
Chemphyschem : a European journal of chemical physics and physical chemistry
(2005)
6
Editorial: a tribute to Michele Parrinello: from physics via chemistry to biology.
W Andreoni, D Marx, M Sprik
ChemPhysChem
(2005)
6
From Concentration Profiles to Polymer Osmotic Equations of State
CI Addison, J-P Hansen, AA Louis
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
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
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
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
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 ed. in English)
(2005)
44
Discussion of measures of enrichment in virtual screening: Comparing the information content of descriptors with increasing levels of sophistication
A Bender, RC Glen
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2005)
45
High-resolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the Li2MnO3-Li[Ni1/2Mn1/2]O-2 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
(2005)
117
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
Ex situ NMR and neutron diffraction study of structure and lithium motion in LiMnN
J Cabana, N Dupré, G Rousse, CP Grey, MR Palacín
Solid State Ionics
(2005)
176
Stretching the Frontiers: Exploring the Relationships Between Entrepreneurship and Ethics
O Fisscher, D Frenkel, Y Lurie, A Nijhof
Journal of Business Ethics
(2005)
60
Electrochemical promotion by potassium of Rh-catalysed fischer-tropsch synthesis at high pressure
AJ Urquhart, FJ Williams, RM Lambert
Catalysis Letters
(2005)
103
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
(2005)
6
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
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