Electron Transfer Properties from Atomistic Simulations and Density Functional Theory

Author： VandeVondele Joost   Sulpizi Marialore   Sprik Michiel  

Publisher： Swiss Chemical Society

ISSN： 0009-4293

Source： CHIMIA International Journal for Chemistry, Vol.61, Iss.4, 2007-04, pp. : 155-158

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Orbital-free density functional theory simulations of dislocations in aluminum

By Shin Ilgyou  

Philosophical Magazine, Vol. 89, Iss. 34-36, 2009-12 ,pp. : 3195-3213

Taylor & Francis Ltd

Access to resources Recommend Favorite

Electronic structure and spectroscopic properties of 6‐aminophenanthridine and its derivatives: Insights from density functional theory

By  

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (ELECTRONIC), Vol. 115, Iss. 13, 2015-07 ,pp. : 846-852

John Wiley & Sons Inc

Access to resources Recommend Favorite

Structural, Electronic and Optical Properties of Nd-Doped Anatase TiO2 for Dye-Sensitized Solar Cells from Density Functional Theory

By  

Materials Science Forum, Vol. 2016, Iss. 846, 2016-04 ,pp. : 726-733

Trans Tech Publications

Access to resources Recommend Favorite

Subsystem density‐functional theory

By  

WILEY INTERDISCIPLINARY REVIEWS: COMPUTATIONAL MOLECULAR SCIENCE (ELECTRONIC), Vol. 4, Iss. 4, 2014-07 ,pp. : 325-362

John Wiley & Sons Inc

Access to resources Recommend Favorite

From Atomistic Surface Chemistry to Nanocrystals of Functional Chalcogenides

By  

ANGEWANDTE CHEMIE INTERNATIONAL EDITION, Vol. 54, Iss. 51, 2015-12 ,pp. : 15334-15340

John Wiley & Sons Inc

Access to resources Recommend Favorite