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Time-dependent approach to spin-vibronic coupling: implementation and assessment

The Journal of chemical physics, 2014-03, Vol.140 (11), p.114104-114104

2014

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Puzzle of the Intramolecular Hydrogen Bond of Dibenzoylmethane Resolved by Molecular Dynamics Simulations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-07, Vol.122 (28), p.5945-5954

2018

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Time-dependent approaches for the calculation of intersystem crossing rates

The Journal of chemical physics, 2011-04, Vol.134 (15), p.154105-154105-9

2011

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Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach

Journal of solid state electrochemistry, 2023-07, Vol.27 (7), p.1821-1834

2023

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Fractal nature of benzene stacking interactions

Journal of molecular modeling, 2023-09, Vol.29 (9), p.287-287, Article 287

2023

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Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters

Physical chemistry chemical physics : PCCP, 2021-02, Vol.23 (4), p.2594-264

2021

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Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-Methylthymine

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-10, Vol.113 (43), p.11809-11816

2009

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Thermal and solvent effects on the triplet formation in cinnoline

Physical chemistry chemical physics : PCCP, 2014-03, Vol.16 (10), p.4740-4751

2014

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Photophysics of Xanthone: A Quantum Chemical Perusal

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (19), p.3935-3944

2013

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Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (19), p.4915-4923

2010

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The role of Duschinsky rotation in intersystem crossing: A case study of uracil

Journal of the Serbian Chemical Society, 2011-01, Vol.76 (12), p.1649-1660

Etinski, Mihajlo

2011

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Properties of the excited electronic states of guanine quartet complexes with alkali metal cations

Journal of the Serbian Chemical Society, 2020, Vol.85 (8), p.1021-1032

2020

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Hydrogen transfer reaction: Bond formation and bond cleavage through the eyes of interacting quantum atoms

Journal of the Serbian Chemical Society, 2019, Vol.84 (8), p.891-900

2019

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Intersystem crossing rates of S1 state keto-amino cytosine at low excess energy

The Journal of chemical physics, 2015-12, Vol.143 (23), p.234301-234301

2015

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Effect of temperature on rate of the spin-forbidden transition in uracil and thymine

Journal of the Serbian Chemical Society, 2013-01, Vol.78 (1), p.65-73

Etinski, M

2013

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Unrevealing mechanism of the thermal tautomerization of avobenzone by means of quantum chemical computations

Journal of the Serbian Chemical Society, 2016, Vol.81 (12), p.1393-1406

2016

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Investigation of the spin-forbidden process in thymine

Hemijska industrija, 2012-01, Vol.66 (2), p.165-170

Etinski, Mihajlo

2012

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Electronic and Vibrational Spectroscopy of 1-Methylthymine and its Water Clusters: The Dark State Survives Hydration

Chemphyschem, 2008-08, Vol.9 (11), p.1570-1577

2008

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Ultrafast Deactivation Mechanism of the Excited Singlet in the Light-Induced Spin Crossover of [Fe(2,2′-bipyridine)3]2

Chemistry : a European journal, 2013-12, Vol.19 (51), p.17541-17551

2013

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A study of the low-lying singlet and triplet electronic states of chlorophyll A and B

Journal of the Serbian Chemical Society, 2013, Vol.78 (11), p.1775-1787

2013

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Self-assembly of rylene-decorated guanine ribbons on graphene surface for optoelectronic applications: a theoretical study

Nanotechnology, 2021-10, Vol.32 (43), p.435405

2021

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Unraveling the mechanism of biomimetic hydrogen fuel production - a first principles molecular dynamics study

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.1447-1454

2020

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Investigation of structure and vibrational properties of cyclobutane pirimidine dimer

Hemijska industrija, 2013-01, Vol.67 (2), p.203-207

2013

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Alkaline earth cations binding mode tailors excited-state charge transfer properties of guanine quadruplex: A TDDFT study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-02, Vol.267 (Pt 2), p.120584, Article 120584

2022

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Innovative hybrid and bifunctional rare earth complexes as corrosion inhibitors for AA2024 Alloy: Electrochemical and surface analysis enhanced by DFT/MD simulation

Applied surface science, 2024-10, Vol.670, p.160718, Article 160718

2024

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Time-dependent approach to spin-vibronic coupling: implementation and assessment

Puzzle of the Intramolecular Hydrogen Bond of Dibenzoylmethane Resolved by Molecular Dynamics Simulations

Time-dependent approaches for the calculation of intersystem crossing rates

Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach

Fractal nature of benzene stacking interactions

Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters

Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-Methylthymine

Thermal and solvent effects on the triplet formation in cinnoline

Photophysics of Xanthone: A Quantum Chemical Perusal

Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine

The role of Duschinsky rotation in intersystem crossing: A case study of uracil

Properties of the excited electronic states of guanine quartet complexes with alkali metal cations

Hydrogen transfer reaction: Bond formation and bond cleavage through the eyes of interacting quantum atoms

Intersystem crossing rates of S1 state keto-amino cytosine at low excess energy

Effect of temperature on rate of the spin-forbidden transition in uracil and thymine

Unrevealing mechanism of the thermal tautomerization of avobenzone by means of quantum chemical computations

Investigation of the spin-forbidden process in thymine

Electronic and Vibrational Spectroscopy of 1-Methylthymine and its Water Clusters: The Dark State Survives Hydration

Ultrafast Deactivation Mechanism of the Excited Singlet in the Light-Induced Spin Crossover of [Fe(2,2′-bipyridine)3]2

A study of the low-lying singlet and triplet electronic states of chlorophyll A and B

Self-assembly of rylene-decorated guanine ribbons on graphene surface for optoelectronic applications: a theoretical study

Unraveling the mechanism of biomimetic hydrogen fuel production - a first principles molecular dynamics study

Investigation of structure and vibrational properties of cyclobutane pirimidine dimer

Alkaline earth cations binding mode tailors excited-state charge transfer properties of guanine quadruplex: A TDDFT study

Innovative hybrid and bifunctional rare earth complexes as corrosion inhibitors for AA2024 Alloy: Electrochemical and surface analysis enhanced by DFT/MD simulation

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