Graphical Transition Moment Decomposition and Conceptual Density Functional Theory Approaches to Study the Fundamental and Lower-Level Overtone Absorption Intensities of Some OH Stretching Vibrations-Reference-Cited by-同舟云学术

Graphical Transition Moment Decomposition and Conceptual Density Functional Theory Approaches to Study the Fundamental and Lower-Level Overtone Absorption Intensities of Some OH Stretching Vibrations

Published:2021-03-05 Issue:10 Volume:125 Page:2101-2113
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Tsuyuki Masafumi¹,Furudate Shunki¹,Kugaya Yuto¹,Yabushita Satoshi¹^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-Ku, Yokohama 223-8522, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c11619

Reference88 articles.

1. Intensity distributions in molecular overtone vibrational spectra

2. Comments on the concept of universal intensities in local mode theory

3. Local mode overtone intensities of C–H stretching modes in alkanes and methyl substituted benzenes

4. The Landau-Lifshitz formula and the correspondence principle for semiclassical matrix elements

5. The accuracy of the quasiclassical Landau–Lifshitz formula for matrix elements and its application to the analysis of the intensities of vibrational overtone transitions

Cited by 5 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. Pushing measurements and interpretation of VCD spectra in the IR, NIR and visible ranges to the detectability and computational complexity limits;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-01

2. Development of organic porous material from pineapple waste as a support for enzyme and dye adsorption;Industrial Crops and Products;2022-07

3. Antispasmodic activity of carnosic acid extracted from rosmarinus officinalis: Isolation, spectroscopic characterization, DFT studies, and in silico molecular docking investigations;Journal of Molecular Structure;2022-07

4. Selection of the Effective Characteristic Spectra Based on the Chemical Structure and Its Application in Rapid Analysis of Ethanol Content in Gasoline;ACS Omega;2022-05-30

5. Size-Dependent πg + πu Combination Band Intensities of Polyynes C2nH2 (n = 1–9) Analyzed by the Local CCH Bending and the Linear Response Functions;The Journal of Physical Chemistry A;2021-07-17