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A new double-reference correction scheme for accurate and efficient computation of NMR chemical shieldings
Royal Society of Chemistry | 2022| -
Balancing accuracy and efficiency in selecting vibrational configuration interaction basis states using vibrational perturbation theory
American Institute of Physics | 2016| -
Quadratic Corrections to Harmonic Vibrational Frequencies Outperform Linear Models
American Chemical Society | 2015| -
On the separability of large-amplitude motions in anharmonic frequency calculations
Royal Society of Chemistry | 2020| -
Are “Bright-State” Models Appropriate for Analyzing Fermi-Coupled Bands in Molecular Vibrational Spectra?
American Chemical Society | 2021| -
Compact expressions for spherically averaged position and momentum densities
Online Contents | 2009| -
PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra
British Library Online Contents | 2016| -
PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra
British Library Online Contents | 2016| -
PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra
British Library Online Contents | 2016| -
Optimal Composition of Atomic Orbital Basis Sets for Recovering Static Correlation Energies
American Chemical Society | 2014|
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