Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Thorsten Schepers"'
Publikováno v:
Zeitschrift für anorganische und allgemeine Chemie. 633:411-414
The attachment of single ions to putative adsorption sites in the tails of collagen fibers is investigated by means of molecular dynamics simulations and discussed with respect to the very early steps of apatite/collagen biomineral formation. Our stu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f1bc481e447d872fdf037027eaf961f
https://doi.org/10.1002/zaac.200600331
https://doi.org/10.1002/zaac.200600331
Publikováno v:
Photochemical & Photobiological Sciences. 2:511-517
The TD B3LYP/6-311G(d,p) method slightly overestimates the excitation energies of the first UV absorption band of the all-transoid conformers of SinMe2n + 2 (n = 2-8, 10), deduced from temperature-dependent measurements on conformer mixtures in hydro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42afd0f51711033e6141be861c1b80d7
https://doi.org/10.1039/b302087h
https://doi.org/10.1039/b302087h
Autor:
Roman Imhof, Heather A. Fogarty, Deborah L. Casher, Thorsten Schepers, David W. Rooklin, Josef Michl
Publikováno v:
Pure and Applied Chemistry. 75:999-1020
The making and breaking of σ bonds is an integral part of almost all photochemical reactions. Yet, the electronic states of σ electrons are not nearly as well understood as the states of π-electron systems. Efforts in our laboratory to enhance the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6bd01a762fb0bbbfaa799edd4c81e41d
https://doi.org/10.1351/pac200375080999
https://doi.org/10.1351/pac200375080999
Autor:
Thorsten Schepers, Josef Michl
Publikováno v:
Journal of Physical Organic Chemistry. 15:490-498
The parameters of the Huckel type ladder C and ladder H models of permethylated oligosilanes have been optimized to reproduce orbital energies obtained from ab initio Hartree–Fock (HF) calculations of 84 conformers with 1–8 silicon atoms at their
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c1b151e7f9a2ce22044b38800dafe10
https://doi.org/10.1002/poc.527
https://doi.org/10.1002/poc.527
Publikováno v:
Photochemical & Photobiological Sciences; May2003, Vol. 2 Issue 5, p511-517, 7p