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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
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
Physical Chemistry Chemical Physics : PCCP
|
February 1, 2022
A computational study of the mechanism of chloroalkane dechlorination with Rh(I) complexes
Selin Bac, Megan E Fieser, Shaama Mallikarjun Sharada
The Journal of Physical Chemistry. A
|
October 25, 2022
Recent Advances toward Efficient Calculation of Higher Nuclear Derivatives in Quantum Chemistry
Selin Bac, Abhilash Patra, Kareesa J Kron, et al.
Journal of Chemical Theory and Computation
|
June 6, 2022
Toward Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm
Stephen Jon Quiton, Jeongmin Chae, Selin Bac, et al.
Materials Horizons
|
April 11, 2023
Controlling selectivity for dechlorination of poly(vinyl chloride) with (xantphos)RhCl
Nancy G Bush, Mikiyas K Assefa, Selin Bac, et al.
The Journal of Chemical Physics
|
May 14, 2022
A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions
Selin Bac, Stephen Jon Quiton, Kareesa J Kron, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
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
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
Physical Chemistry Chemical Physics : PCCP
|
February 1, 2022
A computational study of the mechanism of chloroalkane dechlorination with Rh(I) complexes
Selin Bac, Megan E Fieser, Shaama Mallikarjun Sharada
The Journal of Physical Chemistry. A
|
October 25, 2022
Recent Advances toward Efficient Calculation of Higher Nuclear Derivatives in Quantum Chemistry
Selin Bac, Abhilash Patra, Kareesa J Kron, et al.
Journal of Chemical Theory and Computation
|
June 6, 2022
Toward Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm
Stephen Jon Quiton, Jeongmin Chae, Selin Bac, et al.
Materials Horizons
|
April 11, 2023
Controlling selectivity for dechlorination of poly(vinyl chloride) with (xantphos)RhCl
Nancy G Bush, Mikiyas K Assefa, Selin Bac, et al.
The Journal of Chemical Physics
|
May 14, 2022
A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions
Selin Bac, Stephen Jon Quiton, Kareesa J Kron, et al.
Page
of 1