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- Currently displaying 18021 - 18040 of 29917 publications
Strong geometric-phase effects in the hydrogen-exchange reaction at high collision energies.
The Journal of chemical physics
(2008)
128
124322
(doi: 10.1063/1.2897920)
Complex temporal patterns in molecular dynamics: a direct measure of the phase-space exploration by the trajectory at macroscopic time scales.
Physical review. E, Statistical, nonlinear, and soft matter physics
(2008)
77
036225
(doi: 10.1103/physreve.77.036225)
Atomistic Simulations of the HIV-1 Protease Folding Inhibition
Biophys J
(2008)
95
550
(doi: 10.1529/biophysj.107.127621)
Exploring Actuation and Mechanotransduction Properties of Polymer Brushes
Macromolecular Rapid Communications
(2008)
29
539
(doi: 10.1002/marc.200700682)
Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.
J Chem Phys
(2008)
128
124510
(doi: 10.1063/1.2832946)
A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models.
Journal of Chemical Physics
(2008)
128
124511
(doi: 10.1063/1.2841127)
Fabrication of photonic waveguides in sulfide chalcogenide glasses by selective wet-etching
Electronics Letters
(2008)
44
472
(doi: 10.1049/el:20080510)
Biomolecular simulations of membranes: Physical properties from different force fields
Journal of Chemical Physics
(2008)
128
125103
(doi: 10.1063/1.2897760)
Determination of protein-ligand binding modes using complexation-induced changes in H-1 NMR chemical shift
Journal of medicinal chemistry
(2008)
51
2512
(doi: 10.1021/jm701194r)
Guest-directed assembly of caffeine and succinic acid into topologically different heteromolecular host networks upon grinding
Crystal Growth & Design
(2008)
8
1605
(doi: 10.1021/cg.700929e)
The Development and Application of Rhodium‐Catalyzed Hydroboration of Alkenes
(2008)
65
(doi: 10.1002/9783527622115.ch3)
Insight into the mechanisms of cooperative self-assembly: The "sergeants-and-soldiers" principle of chiral and achiral C 3-symmetrical discotic triamides (Journal of the American Chemical Society (2008) 130, (606-611))
Journal of the American Chemical Society
(2008)
130
4204
(doi: 10.1021/ja800820k)
Electric field effects on one-bond indirect spin-spin coupling constants and possible Biomolecular perspectives
Journal of Physical Chemistry A
(2008)
112
3576
(doi: 10.1021/jp800670y)
Tilted and helical columnar phases for an axially symmetric discoidal system
Physical Review Letters
(2008)
100
127801
Determination and quantification of the local environments in stoichiometric and defect jarosite by solid-state H-2 NMR spectroscopy
Chemistry of Materials
(2008)
20
{2234-2241}
(doi: 10.1021/cm702523d)
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems (vol 127, art no 174103, 2007)
The Journal of Chemical Physics
(2008)
128
129902
(doi: 10.1063/1.2898872)
Microscopic origin of the fast crystallization ability of Ge–Sb–Te phase-change memory materials
Nature Materials
(2008)
7
399
(doi: 10.1038/nmat2157)
End-Permian ozone shield unaffected by oceanic hydrogen sulphide and methane releases
Nature Geoscience
(2008)
1
247
(doi: 10.1038/ngeo154)
