VPT2+K spectroscopic constants and matrix elements of the transformed vibrational Hamiltonian of a polyatomic molecule with resonances using Van Vleck perturbation theory-Reference-Cited by-同舟云学术

VPT2+K spectroscopic constants and matrix elements of the transformed vibrational Hamiltonian of a polyatomic molecule with resonances using Van Vleck perturbation theory

Published:2013-07-16 Issue:2 Volume:112 Page:261-300
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Rosnik Andreana M.,Polik William F.

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268976.2013.808386

Reference43 articles.

1. Beyond the x-K relations

2. Accurate ab initio quartic force field for trans-HNNH and treatment of resonance polyads

3. Calculation of spectroscopic parameters and vibrational overtones of methanol

Cited by 83 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Toward the identification of cyano-astroCOMs via vibrational features: benzonitrile as a test case;Frontiers in Chemistry;2024-09-03

2. Accurate Vibrational and Ro-Vibrational Contributions to the Properties of Large Molecules by a New Engine Employing Curvilinear Internal Coordinates and Vibrational Perturbation Theory to Second Order;Journal of Chemical Theory and Computation;2024-08-31

3. Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers;Journal of Computational Chemistry;2024-04-29

4. Vibrational resonance phenomena of the OCS isotopologues studied by resummation of high-order Rayleigh–Schrödinger perturbation theory;Journal of Quantitative Spectroscopy and Radiative Transfer;2024-04

5. Unbiased Comparison between Theoretical and Experimental Molecular Structures and Properties: Toward an Accurate Reduced-Cost Evaluation of Vibrational Contributions;Journal of Chemical Theory and Computation;2024-04-01