Quantifying soft degrees of freedom in volatile organic compounds: insight from quantum chemistry and focused single molecule experiments-Reference-Cited by-同舟云学术

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Quantifying soft degrees of freedom in volatile organic compounds: insight from quantum chemistry and focused single molecule experiments

Published:2020 Issue:47 Volume:22 Page:27850-27860
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Dahmani Rahma¹²³⁴⁵^ORCID,Sun Haoyue⁶⁷⁸⁹,Mouhib Halima¹⁰¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. Laboratoire de Spectroscopie Atomique

2. Moléculaire et Applications (LSAMA)

3. Département de Physique

4. Faculté des Sciences de Tunis – University of Tunis El Manar

5. Tunis

6. RWTH Aachen University

7. Institute of Physical Chemistry

8. 52056 Aachen

9. Germany

10. Université Gustave Eiffel

11. Département COSYS

12. Laboratoire Instrumentation

13. Simulation et Informatique Scientifique

14. Campus Descartes

Abstract

Asymmetric ethyl esters, simple molecules challenging quantum chemistry: Insight from molecular jet experiments.

Funder

European Cooperation in Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP04846A

Reference62 articles.

1. Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules

2. Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology

3. Exhaustive Exploration of the Conformational Landscape of Small Cyclic Peptides Using a Robotics Approach

4. Performances of Density Functional Tight-Binding Methods for Describing Ground and Excited State Geometries of Organic Molecules

5. Medium-sized rings: conformational preferences in cyclooctanone driven by transannular repulsive interactions

Cited by 2 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. Benchmarking quantum chemical methods for accurate gas-phase structure predictions of carbonyl compounds: the case of ethyl butyrate;Physical Chemistry Chemical Physics;2023

2. Quantifying Conformational Isomerism in Chain Molecules by Linear Raman Spectroscopy: The Case of Methyl Esters;Molecules;2021-07-27

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