Vidwan-ID : 158067



  • Dr Anoop Ayyappan

  • Associate Professor
  • Indian Institute of Technology Kharagpur
Publications 2002 - 2024

Publications

  • 79
    Journal Articles
  • 1
    Review
  • 4
    Projects
  • 6
  • 6
  • 68

Citations / H-Index

1436 Citations
19 h-index
1810 Citations

Altmetrics

101
46
131
901
80

Google Scholar

Co-author Network


Expertise

Multidisciplinary Chemistry

Computational Chemistry, Software Development, Modelling Reaction Mechanism, Chemical Evolution, Nanocluster Modelling

Personal Information

Dr Anoop Ayyappan

Male
Department of Chemistry IIT Kharagpur, Kharagpur, West Bengal, India
Kharagpur, West Bengal, India - 721302


Experience

  • Associate Professor

    Department of Chemistry

    Indian Institute of Technology Kharagpur

  • Assistant Professor

    Indian Institute of Technology Kharagpur


Qualification

  • MSc

    Mahatma Gandhi University, Kerala

  • Ph.D

    University of Hyderabad


Honours and Awards

2021

Linus Pauling Lecture Award

School of Chemical Sciences, Mahatma Gandhi University

2021

Linus Pauling Lecture Award

School of Chemical Sciences, Mahatma Gandhi University

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Doctoral Theses Guided

2020

Exploring the Mechanistic and Synthetic Aspects of Bergman and Garrat-Braverman Intermediates:p-Benzyne and Dehydro-3,4-disubstituted Furan Diradical

Eshani Das, Indian Institute of Technology Kharagpur

2019

Computational Study of Intramolecular Heck Reactions: Active Catalyst Formation, Regioselectivity, and Conformational Flexibility

Davaluri Yogeswara Rao, Indian Institute of Technology Kharagpur

2017

Computational Studies of Chemical Reactions: Manual Modelling and Development of Automated Methods

Surajit Nandi, Indian Institute of Technology Kharagpur

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2020

Exploring the Mechanistic and Synthetic Aspects of Bergman and Garrat-Braverman Intermediates:p-Benzyne and Dehydro-3,4-disubstituted Furan Diradical

Eshani Das, Indian Institute of Technology Kharagpur

2019

Computational Study of Intramolecular Heck Reactions: Active Catalyst Formation, Regioselectivity, and Conformational Flexibility

Davaluri Yogeswara Rao, Indian Institute of Technology Kharagpur

2017

Computational Studies of Chemical Reactions: Manual Modelling and Development of Automated Methods

Surajit Nandi, Indian Institute of Technology Kharagpur

2016

Computational Studies on Structure, Stability, Bonding, and Reactivity of Some Selected Aromatic Molecules

Subhajit Mandal, Indian Institute of Technology Kharagpur

2015

Computational Studies on Mechanism of Cyclization Reactions: Effect of pi-pi Interactions on Reactivity and Selectivity

Saibal Jana, Indian Institute of Technology Kharagpur

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Membership In Professional Bodies

National Academy of Sciences, India

Member

Chemical Research Society of India (CRSI)

Member

World Academy of Theorical and Computational Chemists (WATOC)

Life time meber

National Academy of Sciences, India

Member

Chemical Research Society of India (CRSI)

Member

World Academy of Theorical and Computational Chemists (WATOC)

Life time meber

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Research Projects

STRUCTURE ELUCIDATION OF SIMPLE HYDROCARBONS THROUGH GLOBAL OPTIMIZATION USING DENSITY FUNCTIONAL THEORY AND POST HF METHODS

Funding Agency : National Supercomputing Mission

Computational Study of the Early Stages in the Palladium Catalyzed Coupling Reactions

Funding Agency : Science and Engineering Research Board (SERB),Department of Science and Technology India

EFFECT OF PI-PI INTERACTIONS IN CHEMICAL REACTIONS: COMPUTATIONAL STUDY OF BRAVERMAN CYCLISATION

Funding Agency : Department of Science and Technology (DST),Government of India, Ministry of Science and Technology, India

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STRUCTURE ELUCIDATION OF SIMPLE HYDROCARBONS THROUGH GLOBAL OPTIMIZATION USING DENSITY FUNCTIONAL THEORY AND POST HF METHODS

Funding Agency : National Supercomputing Mission

Computational Study of the Early Stages in the Palladium Catalyzed Coupling Reactions

Funding Agency : Science and Engineering Research Board (SERB),Department of Science and Technology India

EFFECT OF PI-PI INTERACTIONS IN CHEMICAL REACTIONS: COMPUTATIONAL STUDY OF BRAVERMAN CYCLISATION

Funding Agency : Department of Science and Technology (DST),Government of India, Ministry of Science and Technology, India

COMPUTATIONAL STUDY OF GOLD CATALYSED CYDOISOMERISATION OF UNSATURATED HYDROCARBONS

Funding Agency : ISIRD,Indian Institute of Technology Kharagpur, SRIC, IIT KGP.

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