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Del Galdo, Sara, Fusè, Marco, Barone, Vincenzo (2020) CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.00584

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Reference TypeJournal (article/letter/editorial)
TitleCPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach
JournalFrontiers in Chemistry
AuthorsDel Galdo, SaraAuthor
Fusè, MarcoAuthor
Barone, VincenzoAuthor
Year2020 (July 7)Volume8
PublisherFrontiers Media SA
DOIdoi:10.3389/fchem.2020.00584Search in ResearchGate
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Mindat Ref. ID15660051Long-form Identifiermindat:1:5:15660051:6
GUID0
Full ReferenceDel Galdo, Sara, Fusè, Marco, Barone, Vincenzo (2020) CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.00584
Plain TextDel Galdo, Sara, Fusè, Marco, Barone, Vincenzo (2020) CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.00584
In(2020) Frontiers in Chemistry Vol. 8. Frontiers Media SA

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Barone, Vincenzo, Ceselin, Giorgia, Fusè, Marco, Tasinato, Nicola (2020) Accuracy Meets Interpretability for Computational Spectroscopy by Means of Hybrid and Double-Hybrid Functionals. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.584203
Chandramouli, Balasubramanian, Del Galdo, Sara, Fusè, Marco, Barone, Vincenzo, Mancini, Giordano (2019) Two-level stochastic search of low-energy conformers for molecular spectroscopy: implementation and validation of MM and QM models. Physical Chemistry Chemical Physics, 21 (36). 19921-19934 doi:10.1039/c9cp03557e
Yang, Qin, Fusè, Marco, Bloino, Julien (2020) Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.00801
Pagliai, Marco, Mancini, Giordano, Carnimeo, Ivan, De Mitri, Nicola, Barone, Vincenzo (2017) Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach. Journal of Computational Chemistry, 38 (6). 319-335 doi:10.1002/jcc.24683
Zanetti-Polzi, Laura, Del Galdo, Sara, Daidone, Isabella, D'Abramo, Marco, Barone, Vincenzo, Aschi, Massimiliano, Amadei, Andrea (2018) Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory. Physical Chemistry Chemical Physics, 20 (37). 24369-24378 doi:10.1039/c8cp04190c
Barone, Vincenzo, Polimeno, Antonino (2006) Toward an integrated computational approach to CW-ESR spectra of free radicals. Physical Chemistry Chemical Physics, 8 (40). 4609pp. doi:10.1039/b607998a
Kabir, Md. Lutful, Backler, Frederick, Clayton, Andrew H. A., Wang, Feng (2020) Deducing the Conformational Properties of a Tyrosine Kinase Inhibitor in Solution by Optical Spectroscopy and Computational Chemistry. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.00596
Xie, Fan, Fusè, Marco, Hazrah, Arsh S., Jäger, Wolfgang, Barone, Vincenzo, Xu, Yunjie (2020) Discovering the Elusive Global Minimum in a Ternary Chiral Cluster: Rotational Spectra of Propylene Oxide Trimer. Angewandte Chemie, 132 (50) 22613-22616 doi:10.1002/ange.202010055
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Harada, Kenichi, Kubo, Miwa, Fukuyama, Yoshiyasu (2020) Chemistry and Neurotrophic Activities of (–)-Talaumidin and Its Derivatives. Frontiers in Chemistry, 8. doi:10.3389/fchem.2020.00301
Xie, Fan, Fusè, Marco, Hazrah, Arsh S., Jäger, Wolfgang, Barone, Vincenzo, Xu, Yunjie (2020) Discovering the Elusive Global Minimum in a Ternary Chiral Cluster: Rotational Spectra of Propylene Oxide Trimer. Angewandte Chemie International Edition, 59 (50) 22427-22430 doi:10.1002/anie.202010055
 
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