A Fourier Transform Method for Generation of Anharmonic Vibrational Molecular Spectra-Reference-Cited by-同舟云学术

A Fourier Transform Method for Generation of Anharmonic Vibrational Molecular Spectra

Published:2010-06-28 Issue:7 Volume:6 Page:2095-2102
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ivani Ivan¹,Baumruk Vladimír¹,Bouř Petr¹

Affiliation:

1. Institute of Organic Chemistry and Biochemistry, Academy of Sciences, 166 10 Prague, Czech Republic, and Charles University, Faculty of Mathematics and Physics, Institute of Physics, Ke Karlovu 5, 12116, Prague, Czech Republic

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100150f

Reference63 articles.

1. Coupled oscillator interpretation of the vibrational circular dichroism of several dicarbonyl-containing steroids

2. ANALYTICAL DERIVATIVE TECHNIQUES AND THE CALCULATION OF VIBRATIONAL SPECTRA

3. Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory

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. Combining Quantum Mechanics and Machine-Learning Calculations for Anharmonic Corrections to Vibrational Frequencies;Journal of Chemical Theory and Computation;2020-01-31

2. Vibrational Optical Activity: From Small Chiral Molecules to Protein Pharmaceuticals and Beyond;Frontiers and Advances in Molecular Spectroscopy;2018

3. CH Stretching Region: Computational Modeling of Vibrational Optical Activity;Journal of Chemical Theory and Computation;2013-06-11

4. PICVib: An accurate, fast, and simple procedure to investigate selected vibrational modes at high theoretical levels;Journal of Computational Chemistry;2012-11-23

5. Ab initio modeling of fused silica, crystal quartz, and water Raman spectra;Chemical Physics Letters;2011-08