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Journal of Computational Chemistry
|
December 10, 2025
Exploring the Chemical Space of Noncovalent Molecular Clusters Using Automated Cluster Building Algorithm and Neural Network Potential
Sandip Giri, Anakuthil Anoop
Physical Chemistry Chemical Physics : PCCP
|
October 22, 2015
Effect of π-π interaction in Bergman cyclisation
Saibal Jana, Anakuthil Anoop
The Journal of Physical Chemistry. A
|
November 15, 2022
Insights into the Active Catalyst Formation from Dinuclear Palladium Acetate in Pd-Catalyzed Coupling Reactions: A DFT Study
Saikat Roy, Anakuthil Anoop
The Journal of Organic Chemistry
|
July 28, 2016
Does the Mechanism of the Garratt-Braverman Cyclization Differ with Substrates? A Computational Study on Bispropargyl Sulfones, Sulfides, Ethers, Amines, and Methanes
Saibal Jana, Anakuthil Anoop
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 6, 2024
Exploring the Theoretical Foundations of Thermally Activated Delayed Fluorescence (TADF) Emission: A Comprehensive TD-DFT Study on Phenothiazine Systems
Moumita Banerjee, Anakuthil Anoop
Chemistry, an Asian Journal
|
November 28, 2024
Computational Investigation of Meso-Substituted, Heavy Atom-Free BODIPY Derivatives as Photosensitizers: Insights From TDDFT and Dynamics Studies
Moumita Banerjee, Sandip Giri, Anakuthil Anoop
Journal of Chemical Theory and Computation
|
December 1, 2015
A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin Hydrogenation
Anakuthil Anoop, Walter Thiel, Frank Neese
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 26, 2018
Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search
Surajit Nandi, Debankur Bhattacharyya, Anakuthil Anoop
Physical Chemistry Chemical Physics : PCCP
|
November 12, 2025
Computational discovery of high-performance B-Al-Ga nanoclusters for oxygen reduction reaction catalysis
Pratik Sarkar, Maya Khatun, Anakuthil Anoop
Inorganic Chemistry
|
September 27, 2005
Condensed two- and three-dimensional aromatic systems: a theoretical study on the relative stabilities of isomers of CB19H16+, B20H15Cl, and B20H14Cl2 and comparison to B12H10Cl22-, C6H4Cl2, C10H7Cl, and C10H6Cl2
Eluvathingal D Jemmis, Biswarup Pathak, Anakuthil Anoop
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Search research articles
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Showing results (1-10 of 72) with videos related to
Sort By:
Page
of 8
Journal of Computational Chemistry
|
December 10, 2025
Exploring the Chemical Space of Noncovalent Molecular Clusters Using Automated Cluster Building Algorithm and Neural Network Potential
Sandip Giri, Anakuthil Anoop
Physical Chemistry Chemical Physics : PCCP
|
October 22, 2015
Effect of π-π interaction in Bergman cyclisation
Saibal Jana, Anakuthil Anoop
The Journal of Physical Chemistry. A
|
November 15, 2022
Insights into the Active Catalyst Formation from Dinuclear Palladium Acetate in Pd-Catalyzed Coupling Reactions: A DFT Study
Saikat Roy, Anakuthil Anoop
The Journal of Organic Chemistry
|
July 28, 2016
Does the Mechanism of the Garratt-Braverman Cyclization Differ with Substrates? A Computational Study on Bispropargyl Sulfones, Sulfides, Ethers, Amines, and Methanes
Saibal Jana, Anakuthil Anoop
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 6, 2024
Exploring the Theoretical Foundations of Thermally Activated Delayed Fluorescence (TADF) Emission: A Comprehensive TD-DFT Study on Phenothiazine Systems
Moumita Banerjee, Anakuthil Anoop
Chemistry, an Asian Journal
|
November 28, 2024
Computational Investigation of Meso-Substituted, Heavy Atom-Free BODIPY Derivatives as Photosensitizers: Insights From TDDFT and Dynamics Studies
Moumita Banerjee, Sandip Giri, Anakuthil Anoop
Journal of Chemical Theory and Computation
|
December 1, 2015
A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin Hydrogenation
Anakuthil Anoop, Walter Thiel, Frank Neese
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 26, 2018
Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search
Surajit Nandi, Debankur Bhattacharyya, Anakuthil Anoop
Physical Chemistry Chemical Physics : PCCP
|
November 12, 2025
Computational discovery of high-performance B-Al-Ga nanoclusters for oxygen reduction reaction catalysis
Pratik Sarkar, Maya Khatun, Anakuthil Anoop
Inorganic Chemistry
|
September 27, 2005
Condensed two- and three-dimensional aromatic systems: a theoretical study on the relative stabilities of isomers of CB19H16+, B20H15Cl, and B20H14Cl2 and comparison to B12H10Cl22-, C6H4Cl2, C10H7Cl, and C10H6Cl2
Eluvathingal D Jemmis, Biswarup Pathak, Anakuthil Anoop
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