Conformational Preferences of Ethyl Propionate Molecule: Raman, Temperature Dependent FTIR Spectroscopic Study Aided by ab Initio Quantum Chemical and Car–Parrinello Molecular Dynamics Simulation Studies-Reference-Cited by-同舟云学术

Conformational Preferences of Ethyl Propionate Molecule: Raman, Temperature Dependent FTIR Spectroscopic Study Aided by ab Initio Quantum Chemical and Car–Parrinello Molecular Dynamics Simulation Studies

Published:2013-06-03 Issue:23 Volume:117 Page:4838-4850
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Dutta Bipan¹,Tanaka Takeyuki²,Banerjee Arup³,Chowdhury Joydeep¹

Affiliation:

1. Department of Physics, Sammilani Mahavidyalaya, E.M. Bypass, Baghajatin Station, Kolkata 700 075, India

2. Integrated Center for Sciences, Ehime University, 3-5-7 Tarumi, Matsuyama, Ehime 790-8566, Japan

3. Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032, India

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp404247v

Reference23 articles.

1. Production of volatile compounds in ripening kiwi fruit (Actinidia chinensis)

2. Aroma components and free amino acids in strawberry variety Chandler during ripening

3. Atmospheric Chemistry of Ethyl Propionate

4. Frisch, M. J.; Trucks, G. W.; Schiegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.;Gaussian 03;Gaussian, Inc.:Pittsburgh, PA, 2003.

5. Note on an Approximation Treatment for Many-Electron Systems

Cited by 10 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. Conformations and hydration of halopropionic acids studied by molecular dynamics and Raman optical activity;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-03

2. Why Does Dimethyl Carbonate Dissociate Li Salt Better Than Other Linear Carbonates? Critical Role of Polar Conformers;The Journal of Physical Chemistry Letters;2020-11-25

3. Existence of dimeric hydroxylamine-O-sulfonic acid: Experimental observations aided by ab initio, DFT, Car-Parrinello and Born – Oppenheimer on the fly dynamics;Chemical Physics Letters;2019-10

4. Preparation of LiNi_1/3Mn_1/3Co_1/3O₂/Li₃PS₄ cathode composite particles using a new liquid-phase process and application to all-solid-state lithium batteries;Journal of the Ceramic Society of Japan;2018-10-01

5. Experimental and modeling efforts towards a better understanding of the high-temperature combustion kinetics of C3C5 ethyl esters;Combustion and Flame;2017-11