Kinetics and degradation mechanism of atmospheric isoprene (2‐methyl‐1, 3‐butadiene (C5H8)) with chlorine radical and its derivatives—A theoretical study
Subramani, Mohanapriya, Rajamani, Akilan, Shankar, Ramasamy
Published in International journal of quantum chemistry (05.04.2021)
Published in International journal of quantum chemistry (05.04.2021)
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Journal Article
D–A–D Structured Bis-acylhydrazone Exhibiting Aggregation-Induced Emission, Mechanochromic Luminescence, and Al(III) Detection
Santhiya, Kuppusamy, Sen, Shovan K, Natarajan, Ramalingam, Shankar, Ramasamy, Murugesapandian, Balasubramanian
Published in Journal of organic chemistry (21.09.2018)
Published in Journal of organic chemistry (21.09.2018)
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Journal Article
DFT/TD-DFT study on the electronic and spectroscopic properties of hollow cubic and hollow spherical (ZnO)m quantum dots interacting with CO, NO2 and SO3 molecules
Gopalakrishnan, Sankarasubramanian, Shankar, Ramasamy, Kolandaivel, Ponmalai
Published in Applied physics. A, Materials science & processing (01.03.2018)
Published in Applied physics. A, Materials science & processing (01.03.2018)
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Journal Article
New pyrazolo-quinoline scaffold as a reversible colorimetric fluorescent probe for selective detection of Zn2+ ions and its imaging in live cells
Kasirajan, Gayathri, Krishnaswamy, Velmurugan, Raju, Nandhakumar, Mahalingam, Malathi, Sadasivam, Mathusalini, Palathurai Subramaniam, Mohan, Ramasamy, Shankar
Published in Journal of photochemistry and photobiology. A, Chemistry. (15.05.2017)
Published in Journal of photochemistry and photobiology. A, Chemistry. (15.05.2017)
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Journal Article
Exploring the electrocatalytic performance of silicene and single atom doped silicene for HER, OER and ORR activity using density functional theory
Arumugam, Deepak, Sivakumar, Jaya Priya, Muralidharan, Akilesh, Ramasamy, Shankar
Published in Chemical physics impact (01.12.2024)
Published in Chemical physics impact (01.12.2024)
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Journal Article
Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study
Akilan, Rajamani, Vinnarasi, Saravanan, Mohanapriya, Subramani, Shankar, Ramasamy
Published in Structural chemistry (01.12.2020)
Published in Structural chemistry (01.12.2020)
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Journal Article
Interaction of (G4)2 and (X4)2 DNA quadruplexes with Cu+, Ag+ and Au+ metal cations: a quantum chemical calculation on structural, energetic and electronic properties
Saravanan, Vinnarasi, Rajamani, Akilan, Subramaniam, Vijayakumar, Ramasamy, Shankar
Published in Structural chemistry (01.02.2020)
Published in Structural chemistry (01.02.2020)
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Journal Article
Novel phenyl and thiophene dispiro indenoquinoxaline pyrrolidine quinolones induced apoptosis via G1/S and G2/M phase cell cycle arrest in MCF-7 cells
Shyamsivappan, Selvaraj, Saravanan, Arjunan, Vivek, Raju, Suresh, Thangaraj, Shankar, Ramasamy, Gothandam, K. M., Mohan, Palathurai Subramaniam
Published in New journal of chemistry (21.09.2020)
Published in New journal of chemistry (21.09.2020)
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Journal Article
Synthesis and X-ray study of dispiro 8-nitroquinolone analogues and their cytotoxic properties against human cervical cancer HeLa cells
Shyamsivappan, Selvaraj, Vivek, Raju, Saravanan, Arjunan, Arasakumar, Thangaraj, Subashini, Gopalan, Suresh, Thangaraj, Shankar, Ramasamy, Mohan, Palathurai Subramaniam
Published in MedChemComm (01.03.2019)
Published in MedChemComm (01.03.2019)
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Journal Article
Biosorption of Malachite Green from Aqueous Phase by Tamarind Fruit Shells Using FBR
Murugesan, Senthil Rajan, Sivakumar, Vivek, Velusamy, Sampathkumar, Ravindiran, Gokulan, Sundararaj, Premkumar, Maruthasalam, Veerapathran, Thangavel, Ravindaran, Ramasamy, Gowri Shankar, Panneerselvam, Mukesh, Periyasamy, Selvakumar
Published in Advances in materials science and engineering (2022)
Published in Advances in materials science and engineering (2022)
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Journal Article
Revealing the interfacial phenomenon of metal-hydride formation and spillover effect on C48H16 sheet by platinum metal catalyst (Pt (n=1-4)) for hydrogen storage enhancement
Subramani, Mohanapriya, Arumugam, Deepak, Ramasamy, Shankar
Published in International journal of hydrogen energy (01.02.2023)
Published in International journal of hydrogen energy (01.02.2023)
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Journal Article
Unraveling the potential of transition metals as single atom catalyst in Graphene/WS2 van der Waals heterostructure for enhanced HER performance – A first principles study
Arumugam, Deepak, Subramani, Mohanapriya, Subramani, Divyakaaviri, Ramasamy, Shankar
Published in International journal of hydrogen energy (28.05.2024)
Published in International journal of hydrogen energy (28.05.2024)
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Journal Article
Elucidating the hydrogen adsorption mechanism in bare and TMs (Ni, Pd and Cd) decorated Al12P12, B12P12 and C24 nanocages for hydrogen storage via DFT study
Subramani, Divyakaaviri, Arumugam, Deepak, Muralidharan, Akilesh, Ramasamy, Shankar
Published in International journal of hydrogen energy (11.09.2024)
Published in International journal of hydrogen energy (11.09.2024)
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Journal Article
Unveiling the structure-property relationships of bimetallic nickel molybdenum metal organic framework for pseudocapacitor electrode materials: A combined approach of experimental and theoretical study
Kanthasamy, Sureka, Subramani, Mohanapriya, Ramasamy, Shankar, Thangavelu, Selvaraju
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.09.2024)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.09.2024)
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Journal Article
Atomic insights into the fluorinated pristine and defected graphene sheets for inducing the electronic and magnetic properties with the aid of scandium metal decoration- Acumen from density functional theory
Subramani, Divyakaaviri, Subramani, Mohanapriya, Muralidharan, Akilesh, Ramasamy, Shankar
Published in Journal of magnetism and magnetic materials (01.12.2023)
Published in Journal of magnetism and magnetic materials (01.12.2023)
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Journal Article
Probing the influence of defects and Si-doping in graphene sheet as an efficacious carrier for drug delivery system in gas and aqua phases - Combined DFT and classical MD simulation
Arumugam, Deepak, Subramani, Mohanapriya, Durai, Ravichandran, Sambasivam, Anitha, Ramasamy, Shankar
Published in The Journal of physics and chemistry of solids (01.10.2023)
Published in The Journal of physics and chemistry of solids (01.10.2023)
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Journal Article
Effect of doping on the opto-electronic properties of hollow spheroid ZnO quantum dots: A theoretical study
Gopalakrishnan, Sankarasubramanian, Shankar, Ramasamy, Kolandaivel, Ponmalai
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01.08.2021)
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01.08.2021)
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