Harmonic and anharmonic vibrational frequency calculations with double-hybrid B2PLYP method : analytic second derivatives and benchmark studies

Biczysko, Małgorzata; Panek, Paweł; Scalmani, Giovanni; Bloino, Julien; Barone, Vincenzo

Przejdź do menu głównego Przejdź do wyszukiwarki Przejdź do zawartości

polski
English

Home page
Harmonic and anharmonic vibrational frequency calculations with double-hybrid B2PLYP method : analytic second derivatives and benchmark studies

Description

Title: Harmonic and anharmonic vibrational frequency calculations with double-hybrid B2PLYP method : analytic second derivatives and benchmark studies
Journal title: Journal of Chemical Theory and Computation
Creator: Biczysko, Małgorzata ; Panek, Paweł ; Scalmani, Giovanni ; Bloino, Julien ; Barone, Vincenzo
Pages: s. 2115-2125
Description: Zawiera wykresy. ; Bibliogr. ; Streszcz. w jęz. ang.
Language of abstract: eng
Date issued: 2010
Type: Tekst
Language: eng
Detailed object type: art
Object type: Artykuł
Location: Vol. 6, iss. 7 (2010)

The build of the Digital Demonstration Library was commissioned by the Name of the Institution of the Foundation's Institution. The Name of the Foundation under the Program, the Library Project and its creation under the patronage of the Name of the Institution.

Europejski Fundusz Rozwoju Regionalnego Unii Europejskiej

The project titled "Workflow to develop digital publications at the university" co-financed by the European Union from the European Regional Development Fund.

We use files, through the cookie quality improvement layer of our website.For more information, please read the document Privacy Policy