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- Currently displaying 17381 - 17400 of 29233 publications
A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models.
– The Journal of Chemical Physics
(2008)
128,
124511
(doi: 10.1063/1.2841127)
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)
Fabrication of photonic waveguides in sulfide chalcogenide glasses by selective wet-etching
– Electronics Letters
(2008)
44,
472
(doi: 10.1049/el:20080510)
Determination of protein-ligand binding modes using complexation-induced changes in (1)h NMR chemical shift.
– J Med Chem
(2008)
51,
2512
(doi: 10.1021/jm701194r)
Biomolecular simulations of membranes: physical properties from different force fields.
– The Journal of Chemical Physics
(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/cg700929e)
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
– The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
(2008)
112,
3576
(doi: 10.1021/jp800670y)
Determination and quantification of the local environments in stoichiometric and defect jarosite by solid-state 2H NMR spectroscopy
– Chemistry of Materials
(2008)
20,
{2234-2241}
(doi: 10.1021/cm702523d)
Tilted and helical columnar phases for an axially symmetric discoidal system.
– Phys. Rev. Lett.
(2008)
100,
127801
Publisher’s Note: “Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems” [J. Chem. Phys. 127, 174103 (2007)]
– The Journal of Chemical Physics
(2008)
128,
129902
(doi: 10.1063/1.2898872)
End-Permian ozone shield unaffected by oceanic hydrogen sulphide and methane releases
– Nature Geoscience
(2008)
1,
247
(doi: 10.1038/ngeo154)
Microscopic origin of the fast crystallization ability of Ge–Sb–Te phase-change memory materials
– Nature materials
(2008)
7,
399
(doi: 10.1038/nmat2157)
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)
Regio- and Stereoselective Lithiation of 2,3-Diphenylaziridines: A Multinuclear NMR Investigation
– The Journal of Organic Chemistry
(2008)
73,
3197
(doi: 10.1021/jo800069k)
“Virtual Fragment Linking”: An Approach To Identify Potent Binders from Low Affinity Fragment Hits
– Journal of Medicinal Chemistry
(2008)
51,
2481
(doi: 10.1021/jm701314u)
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.
– The Journal of Chemical Physics
(2008)
128,
115107
(doi: 10.1063/1.2838980)