Molecular structure and vibrational spectra of 4-tert-butylpyridine by density functional theory and ab initio Hartree-Fock calculations

Author： Kurt M. Yurdakul M. Yurdakul S.

Publisher： Elsevier

ISSN： 0166-1280

Source： Journal of Molecular Structure: THEOCHEM, Vol.663, Iss.1, 2003-11, pp. : 127-134

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

Related content

Molecular structure, conformational mobility, vibrational spectra, and thermochemistry of peroxyacetic acid: an ab initio and density functional study

By Khursan S. L. Antonovsky V. L.

Russian Chemical Bulletin, Vol. 52, Iss. 9, 2003-09 ,pp. : 1908-1919

Springer Publishing Company

Access to resources Recommend Favorite

Comparative Hartree–Fock and density-functional theory study of cubic and hexagonal diamond

By Barnard A. S. Russo S. P. Snook I. K.

Philosophical Magazine B, Vol. 82, Iss. 17, 2002-11 ,pp. : 1767-1776

Taylor & Francis Ltd

Access to resources Recommend Favorite

Vibrational Spectra, Assignment, Conformational Stability and Ab Initio/DFT Calculations for 1-Nitropropane

By Shilina M. I. Senyavin V. M. Kuramshina G. M. Smirnov V. V. Pentin Yu. A.

Structural Chemistry, Vol. 14, Iss. 6, 2003-12 ,pp. : 559-573

Springer Publishing Company

Access to resources Recommend Favorite

Relativistic Schrödinger Theory and the Hartree–Fock Approach

By Verschl M. Sorg M.

Foundations of Physics, Vol. 33, Iss. 6, 2003-06 ,pp. : 913-954

Springer Publishing Company

Access to resources Recommend Favorite

Hartree and Thomas: the forefathers of density functional theory

By Zangwill Andrew

Archive for History of Exact Sciences, Vol. 67, Iss. 3, 2013-05 ,pp. : 331-348

Springer Publishing Company

Access to resources Recommend Favorite