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- Currently displaying 21161 - 21180 of 31163 publications
Redox free energies from vertical energy gaps: Ab initio molecular dynamics implementation
Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology, Vol 2
(2006)
704
481
(doi: 10.1007/3-540-35284-8_18)
Correlation effects and super-Arrhenius diffusion in binary Lennard- Jones mixtures (12 pages).
Phys. Rev. Lett.
(2006)
96
057802
Solvent effects and conformational stability of a tripeptide
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216 LNBI
{141-149}
(doi: 10.1007/11875741_14)
Potential Energy and Free Energy Landscapes.
J. Phys. Chem. B
(2006)
110
20765-20776
Building Structure-Property Predictive Models Using Data Assimilation
Lecture Notes in Computer Science
(2006)
4216 LNBI
64
(doi: 10.1007/11875741_7)
Methane and carbon dioxide emissions from simulated anaerobic swine manure treatment lagoons under summer conditions
Transactions of the Asabe
(2006)
49
157
Methane and carbon dioxide emissions from simulated anaerobic swine manure treatment lagoons under summer conditions
T ASAE
(2006)
49
157
On the application of computer simulation techniques to anionic and cationic clays: A materials chemistry perspective
Journal of Materials Chemistry
(2006)
16
708
(doi: 10.1039/b506932g)
Global Potential Energy Minima of C 6 0(H 2O) n Clusters.
J. Phys. Chem. B
(2006)
110
13357-13362
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics): Preface
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2006)
4216 LNBI
Dipolar fluctuations in the bulk and at interfaces
Lecture Notes in Physics
(2006)
704
45
(doi: 10.1007/3-540-35284-8_3)
Photocatalytic degradation of water-soluble organic pollutants on TIO2 modified with gold nanoparticles
Environmental Technology
(2006)
27
747
(doi: 10.1080/09593332708618685)
Light propagation in tunable photonic materials
Photonic Metamaterials: From Random to Periodic
(2006)
53
ThB1
(doi: 10.1364/meta.2006.thb1)
EXPLORING THE CATALYTIC ACTIVITY OF A NOBLE METAL: THE Ag CATALYZED ETHYLENE EPOXIDATION REACTION
(2006)
389
(doi: 10.1142/9781860948053_0014)
Kinetic analysis of discrete path sampling stationary point databases.
Mol. Phys.
(2006)
104
1497-1507
Application and uses of CML within the eMinerals project
Proceedings of the UK e-Science All Hands Meeting 2006
(2006)
606
Anatomy of a grid-enabled molecular simulation study: the compressibility of amorphous silica
Proceedings of the UK e-Science All Hands Meeting 2006
(2006)
653
Theory of C 2H x Species on Pt110(1 x 2): Structure, Stability, and Thermal Chemistry.
J. Phys. Chem. B
(2006)
110
4147-4156
Disruption of the copper efflux pump (CopA) of Serratia marcescens ATCC 274 pleiotropically affects copper sensitivity and production of the tripyrrole secondary metabolite, prodigiosin
Journal of Industrial Microbiology & Biotechnology
(2006)
33
151
(doi: 10.1007/s10295-005-0040-9)
