Natalia Gelfand

6PUBLICATIONS
13CO-AUTHORS
Wastewater treatment processesChemical and thermal processes in energy and combustionDegenerate quantum gases and atom opticsNonlinear optics and spectroscopyPhotonics, optoelectronics and optical communications
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Publications (6)

|Sep 10, 2025
Decoding Enzymatic Dechlorination with Multiscale Modeling: Mechanistic Insights into Native Haloalkane Dehalogenase from Xanthobacter autotrophicus and Its Designed Variants.

Natalia Gelfand, Arieh Warshel

|Jan 10, 2025
Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the SN2 Step.

Natalia Gelfand, Vojtech Orel, Wenqiang Cui

|Jan 10, 2024
Nonadiabatic quantum dynamics explores non-monotonic photodissociation branching of N2 into the N(4S) + N(2D) and N(4S) + N(2P) product channels.

Natalia Gelfand, Ksenia Komarova, Francoise Remacle

|May 11, 2023
Recombination of N Atoms in a Manifold of Electronic States Simulated by Time-Reversed Nonadiabatic Photodissociation Dynamics of N2.

Natalia Gelfand, Francoise Remacle, Raphael D Levine

|Apr 27, 2023
Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N2.

Natalia Gelfand, Ksenia Komarova, Françoise Remacle

|Dec 14, 2017
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

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Frequent Collaborators

3 joint publications

Françoise Remacle

2 joint publications

Ksenia Komarova

2 joint publications

Raphael D Levine

2 joint publications

Arieh Warshel