A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer–Draw Graphical Interface-Reference-Cited by-同舟云学术

A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer–Draw Graphical Interface

Published:2017-04-20 Issue:5 Volume:13 Page:2215-2229
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Presti Davide¹^ORCID,Pedone Alfonso¹^ORCID,Licari Daniele²,Barone Vincenzo²

Affiliation:

1. Dipartimento di Scienze Chimiche e Geologiche, Università di Modena e Reggio-Emilia, 103 via G. Campi, I-41125 Modena, Italy

2. Scuola Normale Superiore di Pisa, Piazza dei Cavalieri 7, I-56126 Pisa, Italy

Funder

Seventh Framework Programme

Ministero dell'Istruzione, dell'Università e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00154

Reference84 articles.

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3. Computational Strategies for Spectroscopy

4. Accurate variational calculations for line lists to model the vibration-rotation spectra of hot astrophysical atmospheres

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