Can I read Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid on EtoBox?

Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid by Ali Jameel Hameed; Abraham F. Jalbout; Bartosz Trzaskowski is a Physics and Astronomy article available to read on EtoBox.

What is Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid about?

## Abstract A theoretical study of 2‐Se‐(2‐methyl‐2‐propenyl)‐1‐benzoic acid was carried out to investigate the molecular and electronic structure of this molecule, using the B3LYP density functional theory (DFT) method with the 6‐311+G\*\* basis set. The optimized geometry of the molecule was obtained for the __ortho,__ __meta__, and __para__ isomers of the complex. In addition, the theoretical vibrational spectrum is presented, and thermal corrections in the limit of 100–1,000 K are discussed using the Shomate thermodynamic equations. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007

Who reads Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid?

Author

Ali Jameel Hameed; Abraham F. Jalbout; Bartosz Trzaskowski

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)

Published

2006

Language

EN

Field

Physics and Astronomy (Physical Sciences)