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

M Biczysko, P Panek, G Scalmani… - Journal of Chemical …, 2010 - ACS Publications
This work aims to provide reliable benchmark data on the accuracy of harmonic and
anharmonic vibrational frequencies computed with the B2PLYP double-hybrid density …
被引用次数：327 相关文章

[引用][C] Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies

M Biczysko, G Scalmani, J Bloino… - … OF CHEMICAL THEORY …, 2010 - ricerca.sns.it
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid
B2PLYP method. Analytic second derivatives and benchmark studies IRIS IRIS Home …
[PDF] academia.edu

[PDF][PDF] Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

M Biczysko, P Panek, G Scalmani, J Bloino… - J. Chem. Theory …, 2010 - academia.edu
This work aims to provide reliable benchmark data on the accuracy of harmonic and
anharmonic vibrational frequencies computed with the B2PLYP double-hybrid density …

Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

M Biczysko, P Panek, G Scalmani… - … of chemical theory …, 2010 - pubmed.ncbi.nlm.nih.gov
This work aims to provide reliable benchmark data on the accuracy of harmonic and
anharmonic vibrational frequencies computed with the B2PLYP double-hybrid density …

Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

M Biczysko, P Panek, G Scalmani, J Bloino… - Journal of Chemical …, 2010 - hero.epa.gov
This work aims to provide reliable benchmark data on the accuracy of harmonic and
anharmonic vibrational frequencies computed with the B2PLYP double-hybrid density …

[引用][C] Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

MA Biczysko, P Panek, G Scalmani, J Bloino… - JOURNAL OF …, 2010 - iris.unina.it
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid
B2PLYP Method: Analytic Second Derivatives and Benchmark Studies IRIS IRIS Home …

[引用][C] Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

M Biczysko, P Panek, G Scalmani, J Bloino… - Journal of Chemical …, 2010 - infona.pl
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid
B2PLYP Method: Analytic Second Derivatives and Benchmark Studies × Close The Infona …

Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies.

M Biczysko, P Panek, G Scalmani, J Bloino… - Journal of Chemical …, 2010 - europepmc.org
This work aims to provide reliable benchmark data on the accuracy of harmonic and
anharmonic vibrational frequencies computed with the B2PLYP double-hybrid density …