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Journal of Chemical Theory and Computation
|
December 14, 2023
Cost-Effective Approach for Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters
Sanyam, Rudranarayan Khatua, Anirban Mondal
The Journal of Physical Chemistry. A
|
December 4, 2023
Constructing Multiresonance Thermally Activated Delayed Fluorescence Emitters for Organic LEDs: A Computational Investigation
Sanyam, Rudranarayan Khatua, Anirban Mondal
The Journal of Chemical Physics
|
December 3, 2024
Non-covalent interactions in conjugated polymer blends: Insights into the stability of PVC/PM6 and CPE/PM6 systems
Ram Sewak, Rudranarayan Khatua, Anirban Mondal
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2022
Computational study of electron transport in halogen incorporated diindenotetracene compounds: crystal structure, charge transport and optoelectronic properties
Rudranarayan Khatua, Suryakanti Debata, Sridhar Sahu
Physical Chemistry Chemical Physics : PCCP
|
March 6, 2023
Rational design of non-fullerene acceptors <i>via</i> side-chain and terminal group engineering: a computational study
Rudranarayan Khatua, Bibhas Das, Anirban Mondal
ACS Applied Materials & Interfaces
|
October 10, 2024
Physics-Informed Machine Learning with Data-Driven Equations for Predicting Organic Solar Cell Performance
Rudranarayan Khatua, Bibhas Das, Anirban Mondal
Physical Chemistry Chemical Physics : PCCP
|
May 21, 2021
Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study
Suryakanti Debata, Smruti R Sahoo, Rudranarayan Khatua, et al.
Journal of Chemical Theory and Computation
|
November 13, 2024
From Molecules to Devices: A Multiscale Approach to Evaluating Organic Photovoltaics
Kalyani Patrikar, Keval Patadia, Rudranarayan Khatua, et al.
The Journal of Chemical Physics
|
April 12, 2024
Exploring structure-property landscape of non-fullerene acceptors for organic solar cells
Khantil Patel, Rudranarayan Khatua, Kalyani Patrikar, et al.
Nanoscale
|
August 6, 2025
Exclusive production of acetone using a copper nanoparticle anchored LSCO perovskite electrocatalyst: cell design and metal-support interaction governed electrocatalysis
Shikha Dhakar, Rishabh Kumar, Rudranarayan Khatua, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
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Journal of Chemical Theory and Computation
|
December 14, 2023
Cost-Effective Approach for Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters
Sanyam, Rudranarayan Khatua, Anirban Mondal
The Journal of Physical Chemistry. A
|
December 4, 2023
Constructing Multiresonance Thermally Activated Delayed Fluorescence Emitters for Organic LEDs: A Computational Investigation
Sanyam, Rudranarayan Khatua, Anirban Mondal
The Journal of Chemical Physics
|
December 3, 2024
Non-covalent interactions in conjugated polymer blends: Insights into the stability of PVC/PM6 and CPE/PM6 systems
Ram Sewak, Rudranarayan Khatua, Anirban Mondal
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2022
Computational study of electron transport in halogen incorporated diindenotetracene compounds: crystal structure, charge transport and optoelectronic properties
Rudranarayan Khatua, Suryakanti Debata, Sridhar Sahu
Physical Chemistry Chemical Physics : PCCP
|
March 6, 2023
Rational design of non-fullerene acceptors <i>via</i> side-chain and terminal group engineering: a computational study
Rudranarayan Khatua, Bibhas Das, Anirban Mondal
ACS Applied Materials & Interfaces
|
October 10, 2024
Physics-Informed Machine Learning with Data-Driven Equations for Predicting Organic Solar Cell Performance
Rudranarayan Khatua, Bibhas Das, Anirban Mondal
Physical Chemistry Chemical Physics : PCCP
|
May 21, 2021
Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study
Suryakanti Debata, Smruti R Sahoo, Rudranarayan Khatua, et al.
Journal of Chemical Theory and Computation
|
November 13, 2024
From Molecules to Devices: A Multiscale Approach to Evaluating Organic Photovoltaics
Kalyani Patrikar, Keval Patadia, Rudranarayan Khatua, et al.
The Journal of Chemical Physics
|
April 12, 2024
Exploring structure-property landscape of non-fullerene acceptors for organic solar cells
Khantil Patel, Rudranarayan Khatua, Kalyani Patrikar, et al.
Nanoscale
|
August 6, 2025
Exclusive production of acetone using a copper nanoparticle anchored LSCO perovskite electrocatalyst: cell design and metal-support interaction governed electrocatalysis
Shikha Dhakar, Rishabh Kumar, Rudranarayan Khatua, et al.
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