Natalia Gelfand

Polarizable QM/Classical Approaches for the Modeling of Solvation Effects on UV–Vis and Fluorescence Spectra: An Integrated Strategy

Daniele Loco, Natalia Gelfand, Sandro Jurinovich et al. · The Journal of Physical Chemistry A · 2017 · 24 citations

Engineering, Excitation Energy Transfer, Computational Chemistry +19

Electronic Structure and Optical Properties of Boron Difluoride Dibenzoylmethane Derivatives

Sergey A. Tikhonov, V. I. Vovna, Natalia Gelfand et al. · The Journal of Physical Chemistry A · 2016 · 22 citations

Optical Materials, Engineering, Luminescence Spectroscopy +20

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

Natalia Gelfand, Alexandra Ya. Freidzon, V. I. Vovna · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2019 · 18 citations

Td-dft Calculations, Engineering, Natural Sciences +10

The molecular structure and absorption spectrum of hydroxy substituted dibenzoylmethanatoboron difluoride in solution: A theoretical and experimental study

Natalia Gelfand, Alexandra Ya. Freidzon · Journal of Molecular Structure · 2017 · 10 citations

Organic Charge-transfer Compound, Chemical Engineering, Engineering +9

Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N2

Natalia Gelfand, Ksenia Komarova, F. Remacle et al. · The Journal of Chemical Physics · 2023 · 10 citations · Full text