On the Energy-specific Photodissociation Pathways of 14N2 and 14N15N Isotopomers to N Atoms of Different Reactivity: A Quantum Dynamical Perspective
Gelfand, Natalia, Komarova, Ksenia, Remacle, Francoise, Levine, Raphael D.
Published in The Astrophysical journal (2023)
Published in The Astrophysical journal (2023)
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Electronic Structure and Optical Properties of Boron Difluoride Dibenzoylmethane Derivatives
Tikhonov, Sergey A, Vovna, Vitaliy I, Gelfand, Natalia A, Osmushko, Ivan S, Fedorenko, Elena V, Mirochnik, Anatoliy G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.09.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.09.2016)
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Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N into the N(S) + N(D) and N(S) + N(P) product channels
Gelfand, Natalia, Komarova, Ksenia, Remacle, Francoise, Levine, R. D
Published in Physical chemistry chemical physics : PCCP (24.01.2024)
Published in Physical chemistry chemical physics : PCCP (24.01.2024)
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Journal Article
On the Energy-specific Photodissociation Pathways of 14 N 2 and 14 N 15 N Isotopomers to N Atoms of Different Reactivity: A Quantum Dynamical Perspective
Gelfand, Natalia, Komarova, Ksenia, Remacle, Francoise, Levine, Raphael D.
Published in The Astrophysical journal (01.05.2023)
Published in The Astrophysical journal (01.05.2023)
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Ultrafast charge migration in the laser induced dynamics of LiH validated by a computation-free isotope effect
Gelfand, Natalia, Remacle, Françoise, Levine, Raphael D.
Published in Chemical physics letters (16.02.2023)
Published in Chemical physics letters (16.02.2023)
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Theoretical insights into UV–Vis absorption spectra of difluoroboron β-diketonates with an extended π system: An analysis based on DFT and TD-DFT calculations
Gelfand, Natalia, Freidzon, Alexandra, Vovna, Vitaliy
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.06.2019)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.06.2019)
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Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N2 into the N(4S) + N(2D) and N(4S) + N(2P) product channels
Gelfand, Natalia, Komarova, Ksenia, Remacle, Francoise, Levine, R D
Published in Physical chemistry chemical physics : PCCP (24.01.2024)
Published in Physical chemistry chemical physics : PCCP (24.01.2024)
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Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N 2 into the N( 4 S) + N( 2 D) and N( 4 S) + N( 2 P) product channels
Gelfand, Natalia, Komarova, Ksenia, Remacle, Francoise, Levine, R D
Published in Physical chemistry chemical physics : PCCP (24.01.2024)
Published in Physical chemistry chemical physics : PCCP (24.01.2024)
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Entanglement of electrons and nuclei: A most compact representation of the molecular wave function
Blavier, Martin, Gelfand, Natalia, Levine, R.D., Remacle, F.
Published in Chemical physics letters (01.10.2022)
Published in Chemical physics letters (01.10.2022)
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Recombination of N Atoms in a Manifold of Electronic States Simulated by Time-Reversed Nonadiabatic Photodissociation Dynamics of N2
Gelfand, Natalia, Remacle, Francoise, Levine, Raphael D.
Published in The journal of physical chemistry letters (18.05.2023)
Published in The journal of physical chemistry letters (18.05.2023)
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Polarizable QM/Classical Approaches for the Modeling of Solvation Effects on UV–Vis and Fluorescence Spectra: An Integrated Strategy
Loco, Daniele, Gelfand, Natalia, Jurinovich, Sandro, Protti, Stefano, Mezzetti, Alberto, Mennucci, Benedetta
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.01.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.01.2018)
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Interaction of hydroxy substituted dibenzoylmethanatoboron difluoride with hydrated ammonia in solution: A combined spectroscopic and computational study
Gelfand, Natalia A., Fedorenko, Elena V., Mirochnik, Anatoliy G., Vovna, Vitaliy I.
Published in Journal of molecular structure (05.01.2019)
Published in Journal of molecular structure (05.01.2019)
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Polarizable QM/Classical Approaches for the Modeling of Solvation Effects on UV-Vis and Ffluorescence Spectra: an Integrated Strategy
Loco, Daniele, Gelfand, Natalia, Jurinovich, Sandro, Protti, Stefano, Mezzetti, Alberto, Mennucci, Benedetta
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2017)
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Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2017)
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