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  • Currently displaying 15561 - 15580 of 29621 publications
Author(s)
Publication title
Journal Name
Publication year
Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity
F García, RJ Less, M McPartlin, A Michalski, RE Mulvey, V Naseri, ML Stead, A Morán de Vega, DS Wright
Chem Commun (Camb)
(2010)
47
Kinetics of chain motions within a protein-folding intermediate.
H Neuweiler, W Banachewicz, AR Fersht
Proceedings of the National Academy of Sciences
(2010)
107
A high-throughput fluorescence chemical denaturation assay as a general screen for protein-ligand binding
K Mahendrarajah, PA Dalby, B Wilkinson, SE Jackson, ERG Main
Anal Biochem
(2010)
411
Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide
BM Mognetti, M Oettel, P Virnau, L Yelash, K Binder
Molecular Physics
(2010)
107
Jean-Jacques Weis
J-P Hansen
Molecular Physics
(2010)
107
Crystal stability of diblock copolymer micelles in solution
JJ Molina, C Pierleoni, B Capone, J-P Hansen, ISS de Oliveira
Molecular Physics
(2010)
107
Pertubation theory for systems with strong short-ranged interactions
P SillrÉn, J-P Hansen
Molecular Physics
(2010)
105
Nuclear magnetic shielding surfaces for CH3 F, CH3 Cl, and CH3 Br
BADBARM OLEGARIO
Molecular Physics
(2010)
92
A study of sulphur-containing molecules using Hartree-Fock, MP2 and DFT (hybrid) methodologies
BJA ALTMANN, NCHAVE INGAMELLS
Molecular Physics
(2010)
92
Efficient schemes to compute diffusive barrier crossing rates
MJ RUIZ-MONTERO, D FRENKEL, JJ BREY
Molecular Physics
(2010)
90
The derivation of vibration-rotation kinetic energy operators in internal coordinates. II
SM COLWELL, NC HANDY
Molecular Physics
(2010)
92
Structure and properties of Nen+;clusters from a diatomics-in-molecules approach
FY NAUMKIN, DJ WALES
Molecular Physics
(2010)
93
An ab initio study of anharmonicity and matrix effects on the hydrogen-bonded BrH:NH3 complex
BJE DEL BENE MEREDITH J. T. JORDAN, PMWGAAD BUCKINGHAM
Molecular Physics
(2010)
92
Structure, rearrangements and evaporation of rotating atomic clusters
MA MILLER, DJ WALES
Molecular Physics
(2010)
89
Transferability of topologically partitioned polarizabilities: the case of n-alkanes
AJ STONE, C HÄTTIG, G JANSEN, JG ÀNGYÀ
Molecular Physics
(2010)
89
A density functional water dimer potential surface
BDKW MOK, NCHARD AMOS
Molecular Physics
(2010)
92
Atomistic simulation of the stretching of nanoscale metal wires
BGM FINBOW, RML-BAIR MCDONALD
Molecular Physics
(2010)
92
Screened electrostatic interactions between clay platelets
DG Rowan, J-P Hansen, E Trizac
Molecular Physics
(2010)
98
Solar Hydrogen Evolution with Hydrogenases: From Natural to Hybrid Systems
E Reisner
European Journal of Inorganic Chemistry
(2010)
2011
Phase Behavior of Heptanamide Adsorbed on a Graphite Substrate
T Bhinde, TK Phillips, SM Clarke, T Arnold, JE Parker
Langmuir
(2010)
27