Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism
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(2,6-Dichlorophenyl)- and (2,6-dibromophenyl)trialkylsilanes undergo hydrogen/metal interconversion preferentially at the 4- rather than 3-position. However, the organometallic species generated by such a "meta metalation" are thermodynamically less stab ...
In order to perform a molecular dynamics (MD) simulation of the incommensurate crystalline structure hexamethylenetetramine suberate (C6H12N4)(HOOC-(CH2)(6)-COOH), we present in a first step the separate simulations of the crystalline structure of each of ...
2003
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We first describe the three-dimensional extension of the molecular-dynamics models for granular media simulations. We then discuss the known energy dissipation problem occurring when simulating dense granular media with the usual molecular-dynamics forces ...
2002
A phosphino,oxazoline P,N-bidentate ligand, 4, contg. 3,5-di-tert-butylphenyl groups was prepd. In the Heck arylation of dihydrofuran, 4 affords higher ee's than either 2 or 3, the unsubstituted and m-dimethylphenyl analogs, resp. Several Pd(0) complexes o ...
