PICVib: an accurate, fast and simple procedure to investigate selected vibrational modes and evaluate infrared intensities-Reference-Cited by-同舟云学术

PICVib: an accurate, fast and simple procedure to investigate selected vibrational modes and evaluate infrared intensities

Published:2014 Issue:33 Volume:16 Page:17670-17680
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

dos Santos Marcus V. P.¹²³⁴,Proenza Yaicel G.¹²³⁴,Longo Ricardo L.¹²³⁴

Affiliation:

1. Departamento de Química Fundamental

2. Universidade Federal de Pernambuco

3. Cidade Universitária

4. Recife-PE, Brazil

Abstract

The generalization of the PICVib approach for calculating selected infrared intensities is shown to be successful and to preserves its easiness of implementation and parallelization, flexibility and treatment of large systems and/or at high theoretical levels.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP02279C

Reference73 articles.

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3. K. Nakamoto , Infrared and Raman Spectra of Inorganic and Coordination Compounds. Part B. Applications in Coordination, Organometallic, and Bioinorganic Chemistry , Wiley , New Jersey , 6th edn, 2009

4. B. C. Smith , Infrared Spectral Interpretation: A Systematic Approach , CRC Press , New York , 1998

5. P. Larkin , Infrared and Raman Spectroscopy; Principles and Spectral Interpretation , Elsevier , New York , 2011

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