A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects-Reference-Cited by-同舟云学术

A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects

Published:2013-12-26 Issue:1 Volume:10 Page:346-363
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Egidi Franco¹,Bloino Julien¹²,Cappelli Chiara³,Barone Vincenzo¹

Affiliation:

1. Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy

2. Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organometallici, UOS di Pisa, Via G. Moruzzi 1, 56124 Pisa, Italy

3. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via Risorgimento 35, 56126 Pisa, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400932e

Reference133 articles.

1. Achievements in resonance Raman spectroscopy

2. Understanding excited-state structure in metal polypyridyl complexes using resonance Raman excitation profiles, time-resolved resonance Raman spectroscopy and density functional theory

3. The Resonance Raman Spectra of Spheroidene Revisited with a First-Principles Approach

4. Elucidating Peptide and Protein Structure and Dynamics: UV Resonance Raman Spectroscopy

5. UV Resonance Raman Investigations of Peptide and Protein Structure and Dynamics

Cited by 72 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. Selective excitation of vibrations in a single molecule;Nature Communications;2024-08-14

2. The Role of Hydrogen Bonding in the Raman Spectral Signals of Caffeine in Aqueous Solution;Molecules;2024-06-26

3. Reassignment of the Photoelectron Spectrum of Methylketene Using a Hybrid Model of Harmonic and Anharmonic Oscillators to Compute Franck–Condon Factors;ACS Omega;2023-10-17

4. Quasi-classical simulations of resonance Raman spectra based on path integral linearization;The Journal of Chemical Physics;2023-07-10

5. Computational Design of Molecular Probes for Electronic Preresonance Raman Scattering Microscopy;The Journal of Physical Chemistry B;2023-05-25