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- Currently displaying 17521 - 17540 of 29384 publications
Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.
– The Journal of Chemical Physics
(2008)
128,
124510
(doi: 10.1063/1.2832946)
Fabrication of photonic waveguides in sulfide chalcogenide glasses by selective wet-etching
– Electronics Letters
(2008)
44,
472
(doi: 10.1049/el:20080510)
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)
Determination of Protein–Ligand Binding Modes Using Complexation-Induced Changes in 1H NMR Chemical Shift
– J Med Chem
(2008)
51,
2512
(doi: 10.1021/jm701194r)
Biomolecular simulations of membranes: Physical properties from different force fields
– J Chem Phys
(2008)
128,
125103
(doi: 10.1063/1.2897760)
Guest-Directed Assembly of Caffeine and Succinic Acid into Topologically Different Heteromolecular Host Networks upon Grinding
– Crystal Growth and Design
(2008)
8,
1605
(doi: 10.1021/cg.700929e)
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.
– J Phys Chem A
(2008)
112,
3576
(doi: 10.1021/jp800670y)
Rigid cyanine dye nucleic acid labels
– Chemical communications (Cambridge, England)
(2008)
2004
(doi: 10.1039/b801629a)
Determination and Quantification of the Local Environments in Stoichiometric and Defect Jarosite by Solid-State 2H NMR Spectroscopy
– Chemistry of Materials
(2008)
20,
2234
(doi: 10.1021/cm702523d)
Tilted and Helical Columnar Phases for an Axially Symmetric Discoidal System
– Phys Rev Lett
(2008)
100,
127801
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
– Nat Mater
(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)
Facile conversion of cysteine and alkyl cysteines to dehydroalanine on protein surfaces: versatile and switchable access to functionalized proteins.
– Journal of the American Chemical Society
(2008)
130,
5052
(doi: 10.1021/ja800800p)
"Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits.
– J Med Chem
(2008)
51,
2481
(doi: 10.1021/jm701314u)
Regio- and Stereoselective Lithiation of 2,3-Diphenylaziridines: A Multinuclear NMR Investigation
– Journal of Organic Chemistry
(2008)
73,
3197
(doi: 10.1021/jo800069k)
Rotational motion of pentane in the flat γ cages of zeolite KFI
– The Journal of Physical Chemistry C
(2008)
112,
5922
(doi: 10.1021/jp075899m)
Sensitivity of peptide conformational dynamics on clustering of a classical molecular dynamics trajectory
– Journal of Chemical Physics
(2008)
128,
115107
(doi: 10.1063/1.2838980)