Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems-Reference-Cited by-同舟云学术

Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

Published:2009-02-19 Issue:3 Volume:5 Page:540-554
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Barone Vincenzo¹,Bloino Julien¹,Biczysko Malgorzata¹,Santoro Fabrizio¹

Affiliation:

1. Dipartimento di Chimica “Paolo Corradini” and CR-INSTM Village, Universita di Napoli Federico II, Complesso Univ. Monte S. Angelo, via Cintia, 80126 Napoli, Italy, and Istituto per i Processi Chimico-Fisici, Area della Ricerca-CNR, via G. Moruzzi, 56124 Pisa, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct8004744

Reference62 articles.

1. Integrated computational strategies for UV/vis spectra of large molecules in solution

2. Quantum Mechanical Computations and Spectroscopy: From Small Rigid Molecules in the Gas Phase to Large Flexible Molecules in Solution

3. Quantum Chemistry of Complex Systems

4. Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

5. Thioindigo Dyes: Highly Accurate Visible Spectra with TD-DFT

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