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- Currently displaying 17521 - 17540 of 30236 publications
Reconstructing the equilibrium boltzmann distribution from well-tempered metadynamics
Journal of Computational Chemistry
(2009)
30
1615
(doi: 10.1002/jcc.21305)
Oxalate- and Squarate-Biimidazole Supramolecular Synthons: Hydrogen-Bonded Networks Based on [Co(H2biimidazole)3]3+
Crystal Growth & Design
(2009)
9
2821
(doi: 10.1021/cg900075j)
Bimolecular reaction rates from ring polymer molecular dynamics
J Chem Phys
(2009)
130
174713
(doi: 10.1063/1.3127145)
The short range anion-H interaction is the driving force for crystal formation of ions in water.
The Journal of Chemical Physics
(2009)
130
174505
(doi: 10.1063/1.3124184)
PRIMA-1 Reactivates Mutant p53 by Covalent Binding to the Core Domain
Cancer cell
(2009)
15
376
(doi: 10.1016/j.ccr.2009.03.003)
CHHC and (1)H-(1)H magnetization exchange: analysis by experimental solid-state NMR and 11-spin density-matrix simulations.
Journal of magnetic resonance (San Diego, Calif. : 1997)
(2009)
199
173
(doi: 10.1016/j.jmr.2009.04.013)
Self-Assembly of Semiconductor Organogelator Nanowires for Photoinduced Charge Separation
ACS Nano
(2009)
3
1107
(doi: 10.1021/nn9001165)
Efficient Extraction of Free Energy Profiles From Nonequilibrium Experiments
Journal of computational chemistry
(2009)
30
1726
(doi: 10.1002/jcc.21290)
The role of surface vanadia species in butane dehydrogenation over VOx/Al2O3
Catalysis Today
(2009)
142
143
(doi: 10.1016/j.cattod.2008.07.022)
[1,2-Bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-kappa P-2,P '][7,8-bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-kappa P-2,P ']gold(I)-dichloromethane-water (2/1/1)
Acta crystallographica. Section E, Structure reports online
(2009)
65
m603
(doi: 10.1107/s1600536809014937)
Scaling behavior of the disordered contact process
Physical review. E, Statistical, nonlinear, and soft matter physics
(2009)
79
042105
(doi: 10.1103/PhysRevE.79.042105)
A New Polymorph of N,N′-Dimethylurea Characterized by X-ray Diffraction and First-Principles Lattice Dynamics Calculations
The journal of physical chemistry. A
(2009)
113
5998
(doi: 10.1021/jp900141q)
Charge-transfer in Symmetry-Adapted Perturbation Theory
Chemical Physics Letters
(2009)
473
201
(doi: 10.1016/j.cplett.2009.03.073)
Coupling microdroplet microreactors with mass spectrometry: reading the contents of single droplets online.
Angewandte Chemie International Edition
(2009)
48
3665
(doi: 10.1002/anie.200806103)
Chemical Modification of Proteins at Cysteine: Opportunities in Chemistry and Biology
Chem Asian J
(2009)
4
630
(doi: 10.1002/asia.200800427)
Influence of the Benzoquinone Sorption on the Structure and Electrochemical Performance of the MIL-53(Fe) Hybrid Porous Material in a Lithium-Ion Battery
Chemistry of Materials
(2009)
21
{1602-1611}
(doi: 10.1021/cm8032324)
The CO2 inhibition of terrestrial isoprene emission significantly affects future ozone projections
Atmospheric Chemistry and Physics
(2009)
9
2793
(doi: 10.5194/acp-9-2793-2009)
Controlled catch and release of small molecules with cucurbit[6]uril via a kinetic trap
Chemical Communications
(2009)
3243
(doi: 10.1039/b903033f)
Anchoring sites for initial Au nucleation on ceo2{111}: o vacancy versus ce vacancy
Journal of Physical Chemistry C
(2009)
113
6411
(doi: 10.1021/jp810093a)
