Expertise

  • Atomic, Molecular and Chemical

Publications

Total Articles 18
Books 0
Proceedings 0

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Citations 403
h-index 5

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Citations 366
h-index 6
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Bio

Theoretical Physics Quantum computational simulations Atomic and molecular clusters Electronic structure calculations Condensed matter theory

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  • Male
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Dr Monika DL

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Usha S

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Dr Prashant Athmakoori

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Co-Authors (8)

Amrita

Dr Amrita Biswas

Manipal University, Jaipur

Chakradhar

Dr Chakradhar Behera

Regional Institute of Education, Bhopal

Debasis

Dr Debasis Behera

Gangadhar Meher University

Hemanta Kumar

Dr Hemanta Kumar Kisan

Indian Institute of Technology, Bhilai

Katchala

Dr Katchala Nanaji

Indian Institute of Technology, Bhilai

Rahul

Dr Rahul Shrivastava

Manipal University, Jaipur

Sridhar

Prof Sridhar Sahu

Indian Institute of Technology (Indian School of Mines), Dhanbad

Scholarly Work

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Scholarly Publications

Carbon monosulfide (CS) interaction with third-row maingroup dicarbides, C<inf>2</inf>X (X = K-Br): A density functional study

Open Access
Article

A theoretical study of charge transport properties of trifluoromethyl (-CF3) substituted naphthalene (TFMNA) molecule

Open Access
Conference Paper

Regioselectivity of third-row maingroup dicarbides, C2X (X = K-Br) for CO interaction: Fukui function and topological analyses

Open Access
Article

Topological analysis of third-row main group dicarbides with molecular oxygen: A theoretical study

Open Access
Conference Paper

A density functional study on interaction of first-row transition-metal dicarbides, C2X (X = Sc-Zn) with O2

Open Access
Article

Interaction of third-row main group dicarbides, C2X (X=K-Br) with molecular oxygen: A density functional study

Open Access
Article

A time-dependent density functional study of photoabsorption in B 6O2 cluster: Effect of geometry

Open Access
Conference Paper

Theoretical investigation of photoabsorption in Cyanogen cluster

Open Access
Conference Paper
Authors: Parida S.;Sahu S.;Sharma S.