Ab Initio and DFT Study of the Structures, Vibrations and Energetics of the Urea Dimer and Trimer

Author： Belosludov R.V.   Li Z-Q.   Kawazoe Y.  

Publisher： Springer Publishing Company

ISSN： 0925-5125

Source： Molecular Engineering, Vol.8, Iss.2, 1998-01, pp. : 105-120

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

Ab initio DFT study of 6-mercapto-hexane SAMs: effect of Au surface defects on the monolayer assembly

By Hu Hang   Reven Linda   Rey Alejandro D.  

Molecular Simulation, Vol. 39, Iss. 4, 2013-04 ,pp. : 292-298

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio DFT study of structural and mechanical properties of methane and carbon dioxide hydrates

By Jendi Zeina M.   Rey Alejandro D.   Servio Phillip  

Molecular Simulation, Vol. 41, Iss. 7, 2015-05 ,pp. : 572-579

Taylor & Francis Ltd

Access to resources Recommend Favorite

DFT study of urea interaction with potassium chloride surfaces

By Singh Ajeet   Ganguly Bishwajit  

Molecular Simulation, Vol. 34, Iss. 10-15, 2008-09 ,pp. : 973-979

Taylor & Francis Ltd

Access to resources Recommend Favorite

Indigo stability: an ab initio study

By Solís Correa Hugo   Ortiz Elba   Uc Víctor Hugo   Barceló Quintal Icela D.   Hernández Avila José Luis  

Molecular Simulation, Vol. 37, Iss. 13, 2011-11 ,pp. : 1085-1090

Taylor & Francis Ltd

Access to resources Recommend Favorite

Acidic sugar degradation pathways: An ab initio molecular dynamics study

By Qian Xianghong   Nimlos Mark   Johnson David   Himmel Michael  

Applied Biochemistry and Biotechnology, Vol. 124, Iss. 1-3, 2005-03 ,pp. : 989-997

Humana Press, Inc

Access to resources Recommend Favorite