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The Journal of Physical Chemistry. B
|
December 6, 2025
Following Flavin's Vibrational Modes to Probe Anharmonicities and Low-Lying Conical Intersections
Vy Vu, Samer Gozem
Journal of Chemical Theory and Computation
|
July 6, 2024
First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones
Sarah Elhajj, Samer Gozem
Journal of Chemical Theory and Computation
|
March 17, 2025
Implementation of an Ellipsoidal-Cavity Field Correction for Computed Molecular Oscillator Strengths in Solution: A(nother) Benchmark Study
Jorge C Garcia-Alvarez, Samer Gozem
Journal of Chemical Theory and Computation
|
August 14, 2024
Absorption Intensities of Organic Molecules from Electronic Structure Calculations versus Experiments: the Effect of Solvation, Method, Basis Set, and Transition Moment Gauge
Jorge C Garcia-Alvarez, Samer Gozem
Journal of the American Chemical Society
|
February 4, 2026
Protein Electrostatics Tune the Singlet-Triplet Energy Gap in Natural and Engineered Phototropin Light-Oxygen-Voltage (LOV) Domains
Stephen O Ajagbe, Paulami Ghosh, Samer Gozem
Journal of Chemical Theory and Computation
|
November 22, 2015
Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods
Samer Gozem, Anna I Krylov, Massimo Olivucci
The Journal of Physical Chemistry. B
|
July 29, 2024
Electronic Structure Methods for Simulating Flavin's Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function Methods
Mohammad Pabel Kabir, Paulami Ghosh, Samer Gozem
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 4, 2025
The Photophysical Path to the Triplet State in Light-Oxygen-Voltage (LOV) Domains
Paulami Ghosh, Stephen O Ajagbe, Samer Gozem
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2019
Electronic spectra of flavin in different redox and protonation states: a computational perspective on the effect of the electrostatic environment
Mohammad Pabel Kabir, Yoelvis Orozco-Gonzalez, Samer Gozem
Molecules (Basel, Switzerland)
|
January 26, 2024
How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model
D P Ngan Le, Gary Hastings, Samer Gozem
Page
of 6
Search research articles
Search
Showing results (1-10 of 60) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. B
|
December 6, 2025
Following Flavin's Vibrational Modes to Probe Anharmonicities and Low-Lying Conical Intersections
Vy Vu, Samer Gozem
Journal of Chemical Theory and Computation
|
July 6, 2024
First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones
Sarah Elhajj, Samer Gozem
Journal of Chemical Theory and Computation
|
March 17, 2025
Implementation of an Ellipsoidal-Cavity Field Correction for Computed Molecular Oscillator Strengths in Solution: A(nother) Benchmark Study
Jorge C Garcia-Alvarez, Samer Gozem
Journal of Chemical Theory and Computation
|
August 14, 2024
Absorption Intensities of Organic Molecules from Electronic Structure Calculations versus Experiments: the Effect of Solvation, Method, Basis Set, and Transition Moment Gauge
Jorge C Garcia-Alvarez, Samer Gozem
Journal of the American Chemical Society
|
February 4, 2026
Protein Electrostatics Tune the Singlet-Triplet Energy Gap in Natural and Engineered Phototropin Light-Oxygen-Voltage (LOV) Domains
Stephen O Ajagbe, Paulami Ghosh, Samer Gozem
Journal of Chemical Theory and Computation
|
November 22, 2015
Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods
Samer Gozem, Anna I Krylov, Massimo Olivucci
The Journal of Physical Chemistry. B
|
July 29, 2024
Electronic Structure Methods for Simulating Flavin's Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function Methods
Mohammad Pabel Kabir, Paulami Ghosh, Samer Gozem
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 4, 2025
The Photophysical Path to the Triplet State in Light-Oxygen-Voltage (LOV) Domains
Paulami Ghosh, Stephen O Ajagbe, Samer Gozem
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2019
Electronic spectra of flavin in different redox and protonation states: a computational perspective on the effect of the electrostatic environment
Mohammad Pabel Kabir, Yoelvis Orozco-Gonzalez, Samer Gozem
Molecules (Basel, Switzerland)
|
January 26, 2024
How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model
D P Ngan Le, Gary Hastings, Samer Gozem
Page
of 6