New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra-Reference-Cited by-同舟云学术

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New Developments of a Multifrequency Virtual Spectrometer: Stereo-Electronic, Dynamical, and Environmental Effects on Chiroptical Spectra

Published:2014-05-17 Issue:9 Volume:26 Page:588-600
ISSN:0899-0042
Container-title:Chirality
language:en
Short-container-title:Chirality

Author:

Barone Vincenzo¹,Baiardi Alberto¹,Bloino Julien¹²

Affiliation:

1. Scuola Normale Superiore; Pisa Italy

2. Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organometallici; UOS di Pisa; Pisa Italy

Publisher

Wiley

Subject

Organic Chemistry,Spectroscopy,Drug Discovery,Pharmacology,Catalysis,Analytical Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/chir.22325/fullpdf

Reference111 articles.

1. Ab initio calculation of molecular chiroptical properties;Crawford;Theor Chem Acc,2006

2. Renaissance in chiroptical spectroscopic methods for molecular structure determination;Polavarapu;Chem Rec,2007

3. Computing chiroptical properties with first-principles theoretical methods: Background and illustrative examples;Autschbach;Chirality,2009

4. Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution;Barone;Acc Chem Res,2008

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