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Nano Letters|February 11, 2009
Thermopower of molecular junctions: an ab initio studySan-Huang Ke, Weitao Yang, Stefano Curtarolo, et al.
The Journal of Chemical Physics|December 3, 2008
A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymesJerry M Parks, Hao Hu, Aron J Cohen, et al.
Nano Letters|August 14, 2008
A donor-nanotube paradigm for nonlinear optical materialsDequan Xiao, Felipe A Bulat, Weitao Yang, et al.
Journal of the American Chemical Society|May 11, 2006
Negative differential resistance and hysteresis through an organometallic molecule from molecular-level crossingRui Liu, San-Huang Ke, Harold U Baranger, et al.
The Journal of Chemical Physics|March 3, 2005
Intermolecular effect in molecular electronicsRui Liu, San-Huang Ke, Harold U Baranger, et al.
The Journal of Physical Chemistry. A|May 22, 2014
Fractional charge behavior and band gap predictions with the XYG3 type of doubly hybrid density functionalsNeil Qiang Su, Weitao Yang, Paula Mori-Sánchez, et al.
The Journal of Chemical Physics|January 21, 2006
Organometallic molecular rectificationRui Liu, San-Huang Ke, Weitao Yang, et al.
Nano Letters|October 13, 2005
Organometallic spintronics: dicobaltocene switchRui Liu, San-Huang Ke, Harold U Baranger, et al.
Iscience|December 17, 2019
Toward Highly Thermal Stable Perovskite Solar Cells by Rational Design of Interfacial LayerWeitao Yang, Danming Zhong, Minmin Shi, et al.
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