Journal Papers:

  1. Conformationally Distinct [26]Hetero-Rubyrins ( and their Bis-BODIPYs: Synthesis, Structure and Optical Properties. J. Ajay, T. Sulfikarali, G. M. Sandra, Gokulnath*, Org. Lett. 2022, 24, 1000-1004.
  2. Atom-Efficient Halogen−Halogen Interactions Assist One‑, Two‑, and Three-Dimensional Molecular Zippers. Athira T. John, Akshaya Narayanasamy,+ Deepu George,+ and Mahesh Hariharan* J. Phys. Chem. C 2021, 125, 10716−10722
  3. The Effect of Single-Atom Substitution on Structure and Band Gap in Organic Semiconductors. Athira T. John,† Akshaya Narayanasamy,† Deepu George, and Mahesh Hariharan* Cryst. Growth Des. 2022, 22, 1237−1243
  4. Retaining Hückel Aromaticity in the Triplet Excited State of Azobenzene.P. E. Swathi Krishna, Vivek V. Dev, Remya Ramakrishnan, and Mahesh Hariharan* ChemPhysChem 2022, e202200045 (Accepted).
  5. 5)    Giant Supramolecular Synthons via Cyclic Halogen···Halogen Contacts in Substituted o-Xylenes. Nanditha G. Nair*, Krishna Prasad, Hruidya C Babu, Mahesh Hariharan* Cryst. Growth Des. 2022, 22, 4, 2318–2327
  6. Null Exciton-Coupled Chromophoric Dimer Exhibits Symmetry-Breaking Charge Separation. Ebin Sebastian and Mahesh Hariharan* Am. Chem. Soc. 2021, 143, 34, 13769–13781
  7. An anisotropic dressed pairwise potential model for the adsorption of noble gases on boron nitride sheets. Chris John and Rotti Srinivasamurthy Swathi Chem. Chem. Phys. 2022, 24, 2554-2566
  8. In Pursuit of Accurate Interlayer Potentials for Twisted Bilayer Graphynes. Ajay Melekamburath, Anto James, Megha Rajeevan, Chris John and Rotti Srinivasamurthy Swathi. Phys. Chem. Chem. Phys. 2021, 23, 27031-27041
  9. Metal-Decorated Crown Ether-Embedded Graphene Nanomeshes for Enhanced Molecular Adsorption. Rohini Krishnakumar, Anto James and Rotti Srinivasamurthy Swathi. Adv. Theory Simul. 2021, 4, 2100202
  10. Swarm Intelligence Unravels the Confinement Effects for Tiny Noble Gas Clusters within Carbon Nanotubes. Cheriyacheruvakkara Owais, Chris John and Rotti Srinivasamurthy Swathi. Eur. Phys. J. D 2021, 75, 16
  11. Encapsulation of Monocyclic Carbon Clusters into Carbon Nanotubes: A Continuum Modeling Approach. Cheriyacheruvakkara Owais, Mahroof Kalathingal & Rotti Srinivasamurthy Swathi. Proc. Inst. Mech. Eng. Part N J. Nanomater.Nanoeng. Nanosyst. 2021, 235, 12
  12. Swarm Intelligence Steers a Global Minima Search of Clusters Bound on Carbon Nanostructures. Chris John, Cheriyacheruvakkara Owais, Anto James and Rotti Srinivasamurthy Swathi. J. Phys. Chem. C 2021, 125, 2811–2823
  13. Effect of data gaps on the detectability and parameter estimation of massive black hole binaries with LISA. Kallol Dey, Nikolaos Karnesis, Alexandre Toubiana, Enrico Barausse, Natalia Korsakova, Quentin Baghi, and Soumen Basak. Phys. Rev. D 104, 044035
  14. Sujith, E. K. Vishnu, S. Sappati, M. S. O. Hassan, V. Vijayan, and K. George Thomas, Ligand-Induced Ground- and Excited-State Chirality in Silicon Nanoparticles: Surface Interactions Matter, J. Am. Chem. Soc. 2022, 144, 11, 5074–5086.
  15. Tuhin Sahana, Aditesh Mondal, Anju. B. S., Subrata Kundu, Metal-free Transformations of Nitrogen-oxyanions to Ammonia via Oxoammonium Salt. Chem. Int. Ed. 2021, 60, 20661–20665.
  16. Identification of Crucial Intermediates in the Formation of Humins from Cellulose-Derived Platform Chemicals Under Brønsted Acid Catalyzed Reaction Conditions, P. S. Divya, Swetha Nair, and Sooraj K.,ChemPhysChem, 2022, DOI:10.1002/cphc.202200057.
  17. Secondary Structure Tuning of a Pseudoprotein Between β-Meander and α-Helical Forms in the Solid-State, Vignesh A., Mithun C. M., Sooraj K., Sureshan K. M., Angew. Chem. Int. Ed., 2022, 61, e202280462.
  18. A Proton-Responsive Pyridyl(benzamide)-Functionalized NHC Ligand on Ir Complex for Alkylation of Ketones and Secondary Alcohols, Kaur , U Din Reshi N., Patra K., Bhattacherya A., Sooraj K., and Bera J. K., Chem. Eur. J., 2021,27, 10737.
  19. Probal Nag and Sivaranjana Reddy Vennapusa, Unraveling the sub-100 fs ESIPT in 5-hydroxychromone using surface hopping simulations, J. Photochem. Photobiol. A, 427, 2022, 113767.
  20. Akashdeep Nath, Gegari M Thomas, Shivali Hans, Sivaranjana Reddy Vennapusa, and Sukhendu Mandal, Crystal Packing-Driven Selective Hg(II) Ion Sensing Using Thiazolothiazole-Based Water-Stable Zinc Metal–Organic Framework, Inorg. Chem. 2022, 61, 4, 2227–2233.
  21. Diksha Pandey, Probal Nag and Sivaranjana Reddy Vennapusa, Comparative study of the multistate ESIPT in dihydroxyanthraquinones, J. Photochem. Photobiol. A 423, 2022, 113583.
  22. Probal Nag, Neethu Anand, and Sivaranjana Reddy Vennapusa, Ultrafast nonadiabatic excited-state intramolecular proton transfer in 3-hydroxychromone: A surface hopping approach, J. Chem. Phys. 155, 094301 (2021).
  23. Chithra M. J., Probal Nag and Sivaranjana Reddy Vennapusa, Surface hopping dynamics reveal ultrafast triplet generation promoted by S1–T2–T1 spin-vibronic coupling in 2-mercaptobenzothiazole, Phys. Chem. Chem. Phys. 2021, 23, 20183-20192.
  24. Parthasarathy Gayathri, Karuppaiah Kanagajothi, Probal Nag, Neethu Anand, Vennapusa Sivaranjana Reddy, Dohyun Moon, Savarimuthu Philip Anthony and Vedichi Madhu, Symmetrical and unsymmetrical thiazole-based ESIPT derivatives: the highly selective fluorescence sensing of Cu2+ and structure-controlled reversible mechanofluorochromism, CrystEngComm, 2021, 23, 6769-6777.
  25. Nonclassical states of light in a nonlinear Michelson interferometer, Bijoy John Mathew, Anil Shaji, Phys. Rev. A 104, 062604 (2021).
  26. J, Sulfikarali Thondikkal, Akhil Chakravarthy Kakarlamudi, Sivaranjana Reddy Vennapusa and Gokulnath Sabapathi,“Hexathianonaphyrin( Synthesis, Optical, Redox and Protonation Induced Antiaromaticity” J.Porphyr. Phthalocyanines, 25, 484-492, 2021
  27. Akhil Chakravarthy Kakarlamudi and Sivaranjana Reddy Vennapusa “Intersystem crossing pathways in [5]-, [7]- and [9]cycloparaphenylenes” J. Chem. Phys. 155, 044301 (1-12), 2021
  28. Sulfikarali Thondikkal, Behera Govind, Ajay Jayaprakash, Mori Shigeki, Akhil Chakravarthy Kakarlamudi, Vennapusa Sivaranjana Reddy; Gokulnath Sabapathi “Disruption of Antiaromaticity in Structurally Related Expanded Porphyrin-Like Macrocycles with Benzene Linkers” Org. Lett. 24, 1, 245–249, 2022
  29. Akhil Chakravarthy Kakarlamudi, Sai Vamsi Krishna Isukapalli, Sivaranjana Reddy Vennapusa “Revealing the vibronic coupling effects in the size-dependent optical properties of cycloparaphenylene dications” (Mol. Phys 2022 ) DOI:10.1080/00268976.2022.2055505
  30. Bijoy John Mathew and Anil Shaji, “Nonclassical states of light in a nonlinear Michelson interferometer”, Phys. Rev. A, 104, 062604 (2021)

Conference Papers:

This section will be updated soon.

Student Thesis:

  1. Amalgamating Continuum Approximation and Particle Swarm Optimization to Unravel Interactions of Lennard-Jones Clusters with Carbon Nanostructures, Doctoral Thesis, Owais C H
  2. Supramolecular and Multichromophoric Systems: Structural Emergence and Implications on Electronic and Photophysical Properties, Doctoral Thesis, Remya Ramakrishnan


This section will be updated soon.