Numerical differentiation method to calculate molecular properties at ground and excited states – Application to Julolidinemalononitrile
Author:
Funder
Fonds De La Recherche Scientifique - FNRS
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference50 articles.
1. Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
2. Basis Set and Density Functional Dependence of Vibrational Raman Optical Activity Calculations
3. Selective calculation of high-intensity vibrations in molecular resonance Raman spectra
4. Theoretical Simulation of Vibrational Sum-Frequency Generation Spectra from Density Functional Theory: Application top-Nitrothiophenol and 2,4-Dinitroaniline
5. Ab Initio and DFT Predictions of Infrared Intensities and Raman Activities
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1. Tracking Twisted Intramolecular Charge Transfer and Isomerization Dynamics in 9-(2,2-Dicyanovinyl) Julolidine Using Femtosecond Stimulated Raman Spectroscopy;Chinese Journal of Chemical Physics;2022
2. Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra;Journal of Chemical Theory and Computation;2017-06-09
3. Molecular Design of Organometallic Materials: Effect of the Metallophilic Interactions, Ligand, Metal, and Oxidation State;Quantum Systems in Physics, Chemistry, and Biology;2017
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