Publications | Saikat Roy

List of Published articles:

2023

J. Phy. Chem. A

Performance of Density Functionals and Semiempirical 3c Methods for Small Gold–Thiolate Clusters

Maya Khatun, Sayan Paul, Saikat Roy, Subhasis Dey, and Anakuthil Anoop

The Journal of Physical Chemistry A, 2023

@article{khatun2023performance,
  title = {Performance of Density Functionals and Semiempirical 3c Methods for Small Gold--Thiolate Clusters},
  author = {Khatun, Maya and Paul, Sayan and Roy, Saikat and Dey, Subhasis and Anoop, Anakuthil},
  journal = {The Journal of Physical Chemistry A},
  volume = {127},
  number = {10},
  pages = {2242--2257},
  year = {2023},
  publisher = {ACS Publications},
}

2022

PCCP

Why an integrated approach between search algorithms and chemical intuition is necessary?

Venkatesan S Thimmakondu, Aland Sinjari, Diego Inostroza, Pothiappan Vairaprakash, Krishnan Thirumoorthy, Saikat Roy, Anakuthil Anoop, and William Tiznado

Physical Chemistry Chemical Physics, 2022

Bib HTML

@article{thimmakondu2022integrated,
  title = {Why an integrated approach between search algorithms and chemical intuition is necessary?},
  author = {Thimmakondu, Venkatesan S and Sinjari, Aland and Inostroza, Diego and Vairaprakash, Pothiappan and Thirumoorthy, Krishnan and Roy, Saikat and Anoop, Anakuthil and Tiznado, William},
  journal = {Physical Chemistry Chemical Physics},
  volume = {24},
  number = {19},
  pages = {11680--11686},
  year = {2022},
  publisher = {Royal Society of Chemistry},
}

J.Bio.Struct.Dyn

Effect of ancillary ligand on DNA and protein interaction of the two Zn (II) and Co (III) complexes: experimental and theoretical study

Manik Das, Paola Brandao, Soumya Sundar Mati, Saikat Roy, Anakuthil Anoop, Anjima James, Susmita De, Uttam Kumar Das, Soumik Laha, Jisu Mondal, and 1 more author

Journal of Biomolecular Structure and Dynamics, 2022

Bib HTML

@article{das2022effect,
  title = {Effect of ancillary ligand on DNA and protein interaction of the two Zn (II) and Co (III) complexes: experimental and theoretical study},
  author = {Das, Manik and Brandao, Paola and Mati, Soumya Sundar and Roy, Saikat and Anoop, Anakuthil and James, Anjima and De, Susmita and Das, Uttam Kumar and Laha, Soumik and Mondal, Jisu and others},
  journal = {Journal of Biomolecular Structure and Dynamics},
  volume = {40},
  number = {24},
  pages = {14188--14203},
  year = {2022},
  publisher = {Taylor \& Francis},
}

J. Phy. Chem. A

Insights into the Active Catalyst Formation from Dinuclear Palladium Acetate in Pd-Catalyzed Coupling Reactions: A DFT Study

Saikat Roy, and Anakuthil Anoop

The Journal of Physical Chemistry A, 2022

Bib HTML

@article{roy2022insights,
  title = {Insights into the Active Catalyst Formation from Dinuclear Palladium Acetate in Pd-Catalyzed Coupling Reactions: A DFT Study},
  author = {Roy, Saikat and Anoop, Anakuthil},
  journal = {The Journal of Physical Chemistry A},
  volume = {126},
  number = {46},
  pages = {8562--8576},
  year = {2022},
  publisher = {ACS Publications},
}

J. Org. Chem

Stereochemistry of the Benzylidene γ-Butyrolactone Dictates the Reductive Heck Cyclization Mode in the Asymmetric Synthesis of Aryltetralin Lignans: A Detailed Experimental and Theoretical Study

Biswajit Sen, Saikat Roy, Sujay Garai, Sayan Roy, Anakuthil Anoop, and Saumen Hajra

The Journal of Organic Chemistry, 2022

Bib HTML

@article{sen2022stereochemistry,
  title = {Stereochemistry of the Benzylidene $\gamma$-Butyrolactone Dictates the Reductive Heck Cyclization Mode in the Asymmetric Synthesis of Aryltetralin Lignans: A Detailed Experimental and Theoretical Study},
  author = {Sen, Biswajit and Roy, Saikat and Garai, Sujay and Roy, Sayan and Anoop, Anakuthil and Hajra, Saumen},
  journal = {The Journal of Organic Chemistry},
  volume = {87},
  number = {6},
  pages = {3910--3921},
  year = {2022},
  publisher = {ACS Publications},
}

2021

ACS Catal

Iridium (III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach

Satabdi Bera, Saikat Roy, Shyam Chand Pal, Anakuthil Anoop, and Rajarshi Samanta

ACS Catalysis, 2021

Bib HTML

@article{bera2021iridium,
  title = {Iridium (III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach},
  author = {Bera, Satabdi and Roy, Saikat and Pal, Shyam Chand and Anoop, Anakuthil and Samanta, Rajarshi},
  journal = {ACS Catalysis},
  volume = {11},
  number = {17},
  pages = {10847--10854},
  year = {2021},
  publisher = {ACS Publications},
}

Atoms

BAl4Mg-/0/+: Global minima with a planar tetracoordinate or hypercoordinate boron Atom

Maya Khatun, Saikat Roy, Sandip Giri, Sasanka Sankhar Reddy CH, Anakuthil Anoop, and Venkatesan S Thimmakondu

Atoms, 2021

Bib HTML

@article{khatun2021bal4mg,
  title = {BAl4Mg-/0/+: Global minima with a planar tetracoordinate or hypercoordinate boron Atom},
  author = {Khatun, Maya and Roy, Saikat and Giri, Sandip and CH, Sasanka Sankhar Reddy and Anoop, Anakuthil and Thimmakondu, Venkatesan S},
  journal = {Atoms},
  volume = {9},
  number = {4},
  pages = {89},
  year = {2021},
  publisher = {Multidisciplinary Digital Publishing Institute},
}

ChemistrySelect

Organomagnesium Crown Ethers and Their Binding Affinities with Li+, Na+, K+, Be2+, Mg2+, and Ca2+ Ions–A Theoretical Study

Saikat Roy, Krishnan Thirumoorthy, Uday Kumar Padidela, Pothiappan Vairaprakash, Anakuthil Anoop, and Venkatesan S Thimmakondu

ChemistrySelect, 2021

Bib HTML PDF

@article{roy2021organomagnesium,
  title = {Organomagnesium Crown Ethers and Their Binding Affinities with Li+, Na+, K+, Be2+, Mg2+, and Ca2+ Ions--A Theoretical Study},
  author = {Roy, Saikat and Thirumoorthy, Krishnan and Padidela, Uday Kumar and Vairaprakash, Pothiappan and Anoop, Anakuthil and Thimmakondu, Venkatesan S},
  journal = {ChemistrySelect},
  volume = {6},
  number = {33},
  pages = {8782--8790},
  year = {2021},
  publisher = {Wiley Online Library},
}