A first-principles study on chemical adsorption of lithium polysulfide molecules: investigating the influence of carbon, boron, and nitrogen vacancies in boron carbon nitride 2D sheets
Cheviri, Meera, Lakshmipathi, Senthilkumar
Published in Applied physics. A, Materials science & processing (01.08.2023)
Published in Applied physics. A, Materials science & processing (01.08.2023)
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Journal Article
Intramolecular interactions (O-H∙∙∙O, C-H∙∙∙N, N-H∙∙∙π) in isomers of neutral, cation, and anion dopamine molecules: A DFT study on the influence of solvents (water and ethanol)
Sangeetha, Thekkayil, Lakshmipathi, Senthilkumar
Published in Journal of molecular modeling (01.03.2023)
Published in Journal of molecular modeling (01.03.2023)
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Journal Article
Pyrrolic, pyridinic, and graphitic sumanene as metal‐free catalyst for oxygen reduction reaction – A density functional theory study
Thiruppathiraja, Thangaraj, Arokiyanathan, Agnes Lincy, Lakshmipathi, Senthilkumar
Published in Fuel cells (Weinheim an der Bergstrasse, Germany) (01.12.2021)
Published in Fuel cells (Weinheim an der Bergstrasse, Germany) (01.12.2021)
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Gas adsorption efficacy of graphene sheets functionalised with carboxyl, hydroxyl and epoxy groups in conjunction with Stone-Thrower-Wales (STW) and inverse Stone-Thrower-Wales (ISTW) defects
Lalitha, Murugan, Lakshmipathi, Senthilkumar
Published in Physical chemistry chemical physics : PCCP (2017)
Published in Physical chemistry chemical physics : PCCP (2017)
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An AIE active acidochromic pyrimidine-functionalized two-in-one fluorescent probe for selective relay detection of Al3+/Zn2+ and PPi with various detection applications
Anitha, Ottoor, Aiswarya, Janardhanan, Thiruppathiraja, Thangaraj, Lakshmipathi, Senthilkumar, Malecki, Jan Grzegorz, Murugesapandian, Balasubramanian
Published in New journal of chemistry (09.10.2023)
Published in New journal of chemistry (09.10.2023)
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