First-principles study of electronic structure, absorption spectra, and thermodynamic properties of crystalline 1H-tetrazole and its substituted derivatives

Author： Zhu Weihua   Xiao Heming  

Publisher： Springer Publishing Company

ISSN： 1040-0400

Source： Structural Chemistry, Vol.21, Iss.4, 2010-08, pp. : 847-854

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

Synthesis and crystal structure of 2-trifluoromethyl-1-[(2′-1H-tetrazole-5-yl-biphenyl-4-yl) methyl]benzimidazole

By Yu Weifa   Zhou Zhiming   Zhao Xinqi   Yu Congxuan  

Journal of Chemical Crystallography, Vol. 34, Iss. 9, 2004-09 ,pp. : 597-601

Springer Publishing Company

Access to resources Recommend Favorite

First-principles study of the structure, mechanical properties, and phase stability of crystalline zirconia under high pressure

By Zhu Weihua  

Structural Chemistry, Vol. 23, Iss. 3, 2012-06 ,pp. : 601-611

Springer Publishing Company

Access to resources Recommend Favorite

First-principles study of the elastic properties and electronic structure of NiTi, CoTi and FeTi

By Cheng Dayong   Zhao Shijin   Wang Shaoqing   Ye Hengqiang  

Philosophical Magazine. A. Physics of Condensed Matter. Defects and Mechanical Properties, Vol. 81, Iss. 6, 2001-06 ,pp. : 1625-1632

Taylor & Francis Ltd

Access to resources Recommend Favorite

Thermodynamic properties and lattice dynamics of silver at high pressure: a first-principles study

By Xie Jianjun   Chen S. P.   Gironcoli Stefano De   Baroni Stefano  

Philosophical Magazine B, Vol. 79, Iss. 6, 1999-06 ,pp. : 911-919

Taylor & Francis Ltd

Access to resources Recommend Favorite

Electronic structure of copper phthalocyanine monolayer: a first-principles study

By Bialek B.   Kim I.G.   Lee J.I.  

Thin Solid Films, Vol. 436, Iss. 1, 2003-07 ,pp. : 107-114

Elsevier

Access to resources Recommend Favorite