Zobrazeno 1 - 10
of 432
pro vyhledávání: '"Muckerman, James T."'
A first-principles approach is demonstrated to calculate the relationship between aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynami
Externí odkaz:
http://arxiv.org/abs/1409.3631
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2012 Sep . 109(39), 15657-15965.
Externí odkaz:
https://www.jstor.org/stable/41763294
Autor:
Shen, Xiao, Pederson, Mark R., Zheng, Jin-Cheng, Davenport, James W., Muckerman, James T., Allen, Philip B.
This paper presents two first-principles calculations on the lattice- and electronic- structures of a small-diameter infinite and truncated ZnO nanowire. The two calculations show excellent agreement with each other. For the small diameter nanowire,
Externí odkaz:
http://arxiv.org/abs/cond-mat/0610002
Autor:
Hayashi, Yukiko, Szalda, David J., Grills, David C., Hanson, Jonathan C., Huang, Kuo-Wei, Muckerman, James T., Fujita, Etsuko
Publikováno v:
In Polyhedron 13 July 2013 58:106-114
Autor:
Doherty, Mark D., Grills, David C., Muckerman, James T., Polyansky, Dmitry E., Fujita, Etsuko
Publikováno v:
In Coordination Chemistry Reviews 2010 254(21):2472-2482
Publikováno v:
In Coordination Chemistry Reviews 2010 254(3):309-330
Publikováno v:
In Coordination Chemistry Reviews 2006 250(13):1681-1695
Publikováno v:
In Journal of Molecular Catalysis. A, Chemical 2005 239(1):116-124
Autor:
Lin, Ao, Kobayashi, Kaori, Yu, Hua-Gen, Hall, Gregory E., Muckerman, James T., Sears, Trevor J., Merer, Anthony J.
Publikováno v:
In Journal of Molecular Spectroscopy August 2002 214(2):216-224
Publikováno v:
In Journal of Molecular Spectroscopy April 2002 212(2):133-141