Pavel Rukin

  • CNR Post-Doc
  • pavel.rukin@nano.cnr.it
  • Modena
  • +39-3703204372
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Short Bio

2011-2017 Research engineer

2017-2020 junior research scientist at Federal Scientific Research Centre “Crystallography and Photonics” Photochemistry Center, Russian Academy of Sciences, ul. Novatorov 7a, Moscow, 119421 Russian Federation

2018 Ph.D in Physics and Mathematics (Physical Chemistry), Lomonosov Moscow State University, Moscow, Russia

2015-2016 internship in University of Liège (Theoretical Physical Chemistry, UR MolSys B6c, University of Liège, B4000 Liège, Belgium)

2011-2014 Ph.D student at the Photochemistry Center, Russian Academy of Sciences, Moscow, Russia

PhD Thesis Advisor: Prof. Alexander Bagaturyants, Ab Initio-Based Analysis of Vibronic Absorption Spectra of Dyes - Candidates for Chemosensor Applications

2011 Specialist (M.Sc.) in Applied Mathematics and Computer Science, National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow, Russia

M.Sc. Thesis Advisor: Prof. Alexander Bagaturyants, Modelling the Structures, Absorption and Emission Spectra of 9-Diphenylaminoacridine Dye Using DFT, DFT-D and TDDFT

Research Interests

  • Ab Initio Electronic Structure Calculations
  • Ab Initio-Based Normal Mode Analysis of Absorption/Emission Spectra
  • Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations
  • Radiationless Transitions in Polyatomic Molecules (IC rate constants calculations)
  • Density Functional Theory (DFT), TDDFT

Selected Recent Projects

TITOLO PRIN 2017 settore PE4 codice 201795SBA3 - “Learning From natural pigment-protein complexes how to design articial light-harvesting systems – HARVEST” bando NANO AR 012/2019 MO

Selected Publications

  1. P. Rukin, K.G. Komarova, B. Fresch, E. Collini, and F. Remacle, Chirality of a rhodamine heterodimer linked to a DNA scaffold: an experimental and computational study, Phys. Chem. Chem. Phys., 2020, 22, 7516-7523. https://doi.org/10.1039/D0CP00223B

 

  1. M. Cipolloni, B. Fresch, I. Occhiuto, P. Rukin, K.G. Komarova, A. Cecconello, I. Willner, R.D. Levine, F. Remacle, and E.  Collini,  Coherent electronic and nuclear dynamics in a rhodamine heterodimer–DNA supramolecular complex, Phys. Chem. Chem. Phys., 2017, 19, 23043–23051. https://doi.org/10.1039/C7CP01334E

 

  1. Rukin P.S., Freidzon A.Y., Scherbinin A.V. et al.Vibronic bandshape of absorption spectra of dibenzoylmethanatoboron difluoride derivatives: Analysis based on ab initio calculations. Phys. Chem. Chem. Phys. 2015, 17, 26, 16997–17006. https://doi.org/10.1039/C5CP02085A

Istituto Nanoscienze 

Consiglio Nazionale delle Ricerche

 

PEC: protocollo.nano@pec.cnr.it

Partita IVA 02118311006

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Pisa NEST

Piazza San Silvestro 12

56127 Pisa, Italy

phone +39 050 509418

fax +39 050 509550

segreteria.nest@nano.cnr.it

Modena S3
via Campi 213/A
41125 Modena, Italy
phone +39 059 2055629
fax +39 059 2055651
segreteria.s3@nano.cnr.it

Istituto Nanoscienze Consiglio Nazionale delle Ricerche

Facebook-f Instagram Twitter Linkedin
Pisa NEST

Piazza San Silvestro 12, I
56127 Pisa

phone +39 050 509525/418

fax +39 050 509550

Modena S3

via Campi 213/A, I 

41125 Modena 7

phone +39 059 2055629

fax +39 059 2055651″