Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 111, 2013 - Issue 18-19: Modern EPR Spectroscopy
Submit an article Journal homepage
303
Views
17
CrossRef citations to date
0
Altmetric
Invited Articles

Computational tools for the interpretation of electron spin resonance spectra in solution

Mirco ZerbettoDipartimento di Scienze Chimiche, Università degli Studi di Padova, Padova, Italy
,
Daniele LicariScuola Normale Superiore di Pisa, Piazza dei Cavalieri 1, Pisa, Italy
,
Vincenzo BaroneScuola Normale Superiore di Pisa, Piazza dei Cavalieri 1, Pisa, Italy
&
Antonino PolimenoDipartimento di Scienze Chimiche, Università degli Studi di Padova, Padova, ItalyCorrespondence[email protected]
Pages 2746-2756 | Received 27 Mar 2013, Accepted 24 Apr 2013, Published online: 31 May 2013

Citations (17)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (1)

Tim Softley. (2014) Announcement of the winner of the Longuet-Higgins Young Author's Prize 2013. Molecular Physics 112:14, pages 1833-1834.
Read now

Articles from other publishers (16)

William R. Lindemann, Ty Christoff-Tempesta & Julia H. Ortony. (2020) A Global Minimization Toolkit for Batch-Fitting and χ2 Cluster Analysis of CW-EPR Spectra. Biophysical Journal 119:10, pages 1937-1945.
Crossref
Vincenzo Barone, Giorgia Ceselin, Marco Fusè & Nicola Tasinato. (2020) Accuracy Meets Interpretability for Computational Spectroscopy by Means of Hybrid and Double-Hybrid Functionals. Frontiers in Chemistry 8.
Crossref
Jonathan Campeggio, Marco Bortoli, Laura Orian, Mirco Zerbetto & Antonino Polimeno. (2020) Multiscale modeling of reaction rates: application to archetypal S N 2 nucleophilic substitutions . Physical Chemistry Chemical Physics 22:6, pages 3455-3465.
Crossref
Yukihiro Ozaki, Marek Janusz Wójcik & Jürgen PoppVincenzo Barone & Cristina Puzzarini. 2019. Molecular Spectroscopy. Molecular Spectroscopy 1 42 .
Cristina Puzzarini, Julien Bloino, Nicola Tasinato & Vincenzo Barone. (2019) Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy. Chemical Reviews 119:13, pages 8131-8191.
Crossref
Balasubramanian Chandramouli, Sara Del Galdo, Giordano Mancini, Nicola Tasinato & Vincenzo Barone. (2018) Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches. Biopolymers 109:10, pages e23109.
Crossref
William R. Lindemann & Julia H. Ortony. 2018. Self-assembling Biomaterials. Self-assembling Biomaterials 275 289 .
Andrea Piserchia, Shiladitya Banerjee & Vincenzo Barone. (2017) General Approach to Coupled Reactive Smoluchowski Equations: Integration and Application of Discrete Variable Representation and Generalized Coordinate Methods to Diffusive Problems. Journal of Chemical Theory and Computation 13:12, pages 5900-5910.
Crossref
Daniele Licari, Nicola Tasinato, Lorenzo Spada, Cristina Puzzarini & Vincenzo Barone. (2017) VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra. Journal of Chemical Theory and Computation 13:9, pages 4382-4396.
Crossref
Andrea Piserchia & Vincenzo Barone. (2016) Toward a General Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional Coordinate. Journal of Chemical Theory and Computation 12:8, pages 3482-3490.
Crossref
Vincenzo Barone. (2016) The virtual multifrequency spectrometer: a new paradigm for spectroscopy. Wiley Interdisciplinary Reviews: Computational Molecular Science 6:2, pages 86-110.
Crossref
Daniele Licari, Alberto Baiardi, Malgorzata Biczysko, Franco Egidi, Camille Latouche & Vincenzo Barone. (2015) Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool. Journal of Computational Chemistry 36:5, pages 321-334.
Crossref
Cristina Puzzarini & Malgorzata Biczysko. 2015. Structure Elucidation in Organic Chemistry. Structure Elucidation in Organic Chemistry 27 64 .
M. Zerbetto & A. Polimeno. 2015. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering.
Stefan Stoll. 2014. Multifrequency Electron Paramagnetic Resonance. Multifrequency Electron Paramagnetic Resonance 69 138 .
A. Salvadori, D. Licari, G. Mancini, A. Brogni, N. De Mitri & V. Barone. 2014. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.