| Polarizable QM/classical approaches for the modeling of solvation effects on UV–vis and fluorescence spectra: An integrated strategy D Loco, N Gelfand, S Jurinovich, S Protti, A Mezzetti, B Mennucci The Journal of Physical Chemistry A 122 (1), 390-397, 2018 | 28 | 2018 |
| Electronic structure and optical properties of boron difluoride dibenzoylmethane derivatives SA Tikhonov, VI Vovna, NA Gelfand, IS Osmushko, EV Fedorenko, ... The Journal of Physical Chemistry A 120 (37), 7361-7369, 2016 | 28 | 2016 |
| 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 N Gelfand, A Freidzon, V Vovna Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 216, 161-172, 2019 | 17 | 2019 |
| The molecular structure and absorption spectrum of hydroxy substituted dibenzoylmethanatoboron difluoride in solution: A theoretical and experimental study N Gelfand, A Freidzon, E Fedorenko Journal of Molecular Structure 1151, 177-185, 2018 | 13 | 2018 |
| Study of the crystal structure of binuclear boron difluoride acetylacetonate BV Bukvetskii, IV Svistunova, NA Gelfand Journal of Structural Chemistry 55, 290-294, 2014 | 8 | 2014 |
| On the energy-specific photodissociation pathways of 14N2 and 14N15N isotopomers to N atoms of different reactivity: a quantum dynamical perspective N Gelfand, K Komarova, F Remacle, RD Levine The Astrophysical Journal 948 (1), 58, 2023 | 6 | 2023 |
| Crystal structures of chloro-, bromo-, and nitro-substituted chromium (III) acetylacetonates IV Svistunova, MA Pushilin, NA Gelfand Journal of Coordination Chemistry 68 (16), 2760-2769, 2015 | 6 | 2015 |
| Entanglement of electrons and nuclei: A most compact representation of the molecular wave function M Blavier, N Gelfand, RD Levine, F Remacle Chemical Physics Letters 804, 139885, 2022 | 5 | 2022 |
| Interaction of hydroxy substituted dibenzoylmethanatoboron difluoride with hydrated ammonia in solution: A combined spectroscopic and computational study NA Gelfand, EV Fedorenko, AG Mirochnik, VI Vovna Journal of Molecular Structure 1175, 601-608, 2019 | 5 | 2019 |
| Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N2 N Gelfand, K Komarova, F Remacle, RD Levine The Journal of Chemical Physics 158 (16), 2023 | 4 | 2023 |
| Recombination of N Atoms in a Manifold of Electronic States Simulated by Time-Reversed Nonadiabatic Photodissociation Dynamics of N2 N Gelfand, F Remacle, RD Levine The Journal of Physical Chemistry Letters 14 (19), 4625-4630, 2023 | 3 | 2023 |
| Photodissociation via weak intersystem crossing: Incoherent versus coherent excited-state nonadiabatic dynamics in N Gelfand, K Komarova, F Remacle, RD Levine Physical Review A 108 (5), 053116, 2023 | 2 | 2023 |
| Ultrafast charge migration in the laser induced dynamics of LiH validated by a computation-free isotope effect N Gelfand, F Remacle, RD Levine Chemical Physics Letters 813, 140318, 2023 | 2 | 2023 |
| 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 N Gelfand, K Komarova, F Remacle, RD Levine Physical Chemistry Chemical Physics 26 (4), 3274-3284, 2024 | | 2024 |
| Controlling the Time Evolution of Electron-Nuclei Entanglement for Steering Vibronic Coherences Dynamics Induced by Short 1–2 fs Optical Pulses M Blavier, N Gelfand, RD Levine, F Remacle International Conference on Attosecond Science and Technology, 83-100, 2023 | | 2023 |
