Ab Initio Calibration Study of the Heat of Formation, Geometry, and Anharmonic Force Field of Fluoroacetylene-Reference-Cited by-同舟云学术

Ab Initio Calibration Study of the Heat of Formation, Geometry, and Anharmonic Force Field of Fluoroacetylene

Published:1998-03-13 Issue:14 Volume:102 Page:2483-2492
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Persson B. Joakim¹,Taylor Peter R.¹,Martin Jan M. L.²

Affiliation:

1. Department of Chemistry and Biochemistry, University of California, San Diego, and San Diego Supercomputer Center, P.O. Box 85608, San Diego, California 92186-5608

2. Department of Organic Chemistry, Weizmann Institute of Science, Kimmelman Building, Room 262, Rehovot 76100, Israel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp973286b

Reference61 articles.

1. Vibrational overtone spectra of monofluoroacetylene: a preliminary report

2. Vibration-rotation spectra of monofluoroacetylene: 1700 to 7500 cm−1

3. High resolution photoacoustic overtone spectroscopy of monofluoroacetylene, HCCF, with a titanium:sapphire ring laser

4. Overtone spectra and anharmonic resonances in haloacetylenes

5. Quartic anharmonic resonances in acetylenes and haloacetylenes

Cited by 37 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. Optimized Structural Data at the Complete Basis Set Limit via Successive Quadratic Minimizations;The Journal of Physical Chemistry A;2021-12-09

2. Molecular synthons for accurate structural determinations: the equilibrium geometry of 1-chloro-1-fluoroethene;Physical Chemistry Chemical Physics;2019

3. Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde;Journal of Chemical Theory and Computation;2018-02-23

4. The infrared spectrum of DCCF in the 320–850 cm−1region: bending states up toυ4+υ5= 3;Molecular Physics;2013-09-09

5. Thermochemistry of mono- and disubstituted acetylenes and polyynes at the Gaussian-4 level of theory;Computational and Theoretical Chemistry;2011-09