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Physical Chemistry Chemical Physics : PCCP
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October 5, 2018
Computational strategies to probe CH activation in dioxo-dicopper complexes
Zhenzhuo Lan, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
March 25, 2020
Linear free energy relationships for transition metal chemistry: case study of CH activation with copper-oxygen complexes
Zhenzhuo Lan, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
September 24, 2025
A computational study of the fluorescence spectra of terphenyl-triethylamine exciplexes
Pallavi Sarkar, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2021
A framework for constructing linear free energy relationships to design molecular transition metal catalysts
Zhenzhuo Lan, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
November 13, 2024
Quantum effects in CH activation with [Cu<sub>2</sub>O<sub>2</sub>]<sup>2+</sup> complexes
Selin Bac, Shaama Mallikarjun Sharada
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 27, 2024
Modeling Heterogeneous Catalysis and Electrocatalysis
Shaama Mallikarjun Sharada, Joseph A Gauthier
The Journal of Chemical Physics
|
July 9, 2021
Adsorbate-assisted migration of the metal atom in atomically dispersed catalysts: An ab initio molecular dynamics study
Nicholas Humphrey, Selin Bac, Shaama Mallikarjun Sharada
The Journal of Chemical Physics
|
September 20, 2024
A configuration sampling study of reaction intermediates constituting catalytic cycles for CO oxidation with Pt1/TiO2
Nicholas Humphrey, Selin Bac, Shaama Mallikarjun Sharada
The Journal of Physical Chemistry. A
|
June 27, 2025
Organic Photoredox Catalysts for CO<sub>2</sub> Reduction: Understanding the Mechanisms of Catalyst Deactivation
Kaustubh C Rane, Pallavi Sarkar, Shaama Mallikarjun Sharada
Journal of Computational Chemistry
|
February 4, 2025
AIMD-Based Protocols for Modeling Exciplex Fluorescence Spectra and Inter-System Crossing in Photocatalytic Chromophores
Goran Giudetti, Shaama Mallikarjun Sharada, Anna I Krylov
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2018
Computational strategies to probe CH activation in dioxo-dicopper complexes
Zhenzhuo Lan, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
March 25, 2020
Linear free energy relationships for transition metal chemistry: case study of CH activation with copper-oxygen complexes
Zhenzhuo Lan, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
September 24, 2025
A computational study of the fluorescence spectra of terphenyl-triethylamine exciplexes
Pallavi Sarkar, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2021
A framework for constructing linear free energy relationships to design molecular transition metal catalysts
Zhenzhuo Lan, Shaama Mallikarjun Sharada
Physical Chemistry Chemical Physics : PCCP
|
November 13, 2024
Quantum effects in CH activation with [Cu<sub>2</sub>O<sub>2</sub>]<sup>2+</sup> complexes
Selin Bac, Shaama Mallikarjun Sharada
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 27, 2024
Modeling Heterogeneous Catalysis and Electrocatalysis
Shaama Mallikarjun Sharada, Joseph A Gauthier
The Journal of Chemical Physics
|
July 9, 2021
Adsorbate-assisted migration of the metal atom in atomically dispersed catalysts: An ab initio molecular dynamics study
Nicholas Humphrey, Selin Bac, Shaama Mallikarjun Sharada
The Journal of Chemical Physics
|
September 20, 2024
A configuration sampling study of reaction intermediates constituting catalytic cycles for CO oxidation with Pt1/TiO2
Nicholas Humphrey, Selin Bac, Shaama Mallikarjun Sharada
The Journal of Physical Chemistry. A
|
June 27, 2025
Organic Photoredox Catalysts for CO<sub>2</sub> Reduction: Understanding the Mechanisms of Catalyst Deactivation
Kaustubh C Rane, Pallavi Sarkar, Shaama Mallikarjun Sharada
Journal of Computational Chemistry
|
February 4, 2025
AIMD-Based Protocols for Modeling Exciplex Fluorescence Spectra and Inter-System Crossing in Photocatalytic Chromophores
Goran Giudetti, Shaama Mallikarjun Sharada, Anna I Krylov
Page
of 4