Scaled quantum mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional …

CR Legler, NR Brown, RA Dunbar, MD Harness… - … Acta Part A: Molecular …, 2015 - Elsevier
Abstract The Scaled Quantum Mechanical (SQM) method of scaling calculated force
constants to predict theoretically calculated vibrational frequencies is expanded to include a …
被引用次数：79 相关文章

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional …

CR Legler, NR Brown, RA Dunbar, MD Harness… - … Acta Part A: Molecular …, 2015 - infona.pl
The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to
predict theoretically calculated vibrational frequencies is expanded to include a broad array …

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional …

CR Legler, NR Brown, RA Dunbar… - … Acta Part A …, 2015 - ui.adsabs.harvard.edu
Abstract The Scaled Quantum Mechanical (SQM) method of scaling calculated force
constants to predict theoretically calculated vibrational frequencies is expanded to include a …

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional …

CR Legler, NR Brown, RA Dunbar… - … acta. Part A …, 2015 - europepmc.org
The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to
predict theoretically calculated vibrational frequencies is expanded to include a broad array …

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional …

CR Legler, NR Brown, RA Dunbar… - … acta. Part A …, 2015 - pubmed.ncbi.nlm.nih.gov
The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to
predict theoretically calculated vibrational frequencies is expanded to include a broad array …

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional …

CR Legler, NR Brown, RA Dunbar, MD Harness… - 2015 - aperta.ulakbim.gov.tr
The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to
predict theoretically calculated vibrational frequencies is expanded to include a broad array …

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional …

CR Legler, NR Brown, RA Dunbar, MD Harness… - 2015 - aperta.ulakbim.gov.tr
The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to
predict theoretically calculated vibrational frequencies is expanded to include a broad array …