Bulk-phase thermodynamic properties and dielectric constant of ethanol: an ab initio quantum mechanical approach combined with a statistical model

Author： Pandey Prasenjit   Chakraborty Tanmoy   Mukherjee Asok K.  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.111, Iss.20, 2013-10, pp. : 3098-3103

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

Ground state and excited state properties of ethylene isomers studied by a combined Feynman path integral - ab initio approach

By Ramírez Rafael   Schulte Joachim   Böhm Michael C.  

Molecular Physics, Vol. 99, Iss. 15, 2001-08 ,pp. : 1249-1273

Taylor & Francis Ltd

Access to resources Recommend Favorite

An ab initio quantum chemical investigation of the error-coding model of nucleotide alphabet composition

By Mac Dónaill Dónall A.   Brocklebank Denise  

Molecular Physics, Vol. 101, Iss. 17, 2003-09 ,pp. : 2755-2762

Taylor & Francis Ltd

Access to resources Recommend Favorite

Monte Carlo simulations of thermodynamic properties of argon, krypton and xenon in liquid and gas state using new ab initio pair potentials

By Malijevský Alexandr   Malijevský Anatol  

Molecular Physics, Vol. 101, Iss. 22, 2003-11 ,pp. : 3335-3340

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio dynamics of the He + H2+ → HeH+ + H reaction: potential energy surface and quantum mechanical cross-sections

By Palmieri P.   Puzzarini C.   Aquilanti V.   Capecchi G.   Cavalli S.   De Fazio D.   Aguilar A.   Giménez X.   Lucas J. M.  

Molecular Physics, Vol. 98, Iss. 21, 2000-11 ,pp. : 1835-1849

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab Initio Calculations of the Oscillations of a Clarinet

By Schumacher R. T.  

Acta Acustica united with Acustica, Vol. 48, Iss. 2, 1981-05 ,pp. : 71-85

S. Hirzel Verlag

Access to resources Recommend Favorite