All Stories

  1. Six Low-Lying Isomers of C11H8 Are Unidentified in the Laboratory–A Theoretical Study

    Article • The Journal of Physical Chemistry A, May 2021, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  2. CAl4Mg0/−: Global Minima with a Planar Tetracoordinate Carbon Atom

    Article • Atoms, April 2021, MDPI AG

    Venkatesan Thimmakondu

  3. Accessing a key intermediate for sub(oxa)porphyrins from a sustainable raw-material—Cashew apple bagasse

    Article • Industrial Crops and Products, January 2021, Elsevier

    Venkatesan Thimmakondu

  4. Kinetic Stability of Si2C5H2 Isomer with a Planar Tetracoordinate Carbon Atom

    Article • Chemistry, December 2020, MDPI AG

    Venkatesan Thimmakondu

  5. MgC2H2 isomers – simple penta-atomic molecules missing in the laboratory

    Article • Chemical Physics, October 2020, Elsevier

    Venkatesan Thimmakondu

  6. Flat crown ethers with planar tetracoordinate carbon atoms

    Article • International Journal of Quantum Chemistry, September 2020, Wiley

    Venkatesan Thimmakondu

  7. MgC6H2 Isomers: Potential Candidates for Laboratory and Radioastronomical Studies

    Article • The Journal of Physical Chemistry A, August 2020, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  8. Theoretical Studies of SiC4H2 Isomers Delineate Three Low-Lying Silylidenes Are Missing in the Laboratory

    Article • The Journal of Physical Chemistry A, January 2020, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  9. Si2C5H2isomers – search algorithmsversuschemical intuition

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Venkatesan Thimmakondu

  10. Many unknowns below or close to the experimentally known cumulene carbene – A case study of C9H2 isomers

    Article • Chemical Physics, November 2019, Elsevier

    Venkatesan Thimmakondu

  11. Theoretical Studies of Two Key Low-Lying Carbenes of C5H2 Missing in the Laboratory

    Article • The Journal of Physical Chemistry A, July 2019, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  12. Si3C2H2 isomers with a planar tetracoordinate carbon or silicon atom(s)

    Article • Computational and Theoretical Chemistry, June 2019, Elsevier

    Venkatesan Thimmakondu

  13. Comment on “Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons” by O. Yañez et al., Chem. Commun., 2017, 53, 12112

    Article • Chemical Communications, January 2019, Royal Society of Chemistry

    Venkatesan Thimmakondu

  14. The quest for the carbene bent-pentadiynylidene isomer of C5H2

    Article • Chemical Physics, November 2018, Elsevier

    Venkatesan Thimmakondu

  15. From High-Energy C7H2 Isomers with A Planar Tetracoordinate Carbon Atom to An Experimentally Known Carbene

    Article • The Journal of Physical Chemistry A, October 2018, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  16. CCSDT(Q)/CBS thermochemistry for the D5h → D10h isomerization in the C10 carbon cluster: Getting the right answer for the right reason

    Article • Chemical Physics Letters, August 2018, Elsevier

    Venkatesan Thimmakondu

  17. Is the bonding cumulenic or polyacetylenic in nonatetraynylidene?

    Article • Computational and Theoretical Chemistry, February 2017, Elsevier

    Venkatesan Thimmakondu

  18. Energetic and spectroscopic properties of the low-lying C7H2 isomers: a high-level ab initio perspective

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Venkatesan Thimmakondu

  19. Matrix-isolated infrared absorption spectrum of CH2BrOO radical

    Article • Chemical Physics Letters, July 2016, Elsevier

    Venkatesan Thimmakondu

  20. MOLECULES IN LABORATORY AND IN INTERSTELLAR SPACE?

    Article • June 2016, International Symposium on Molecular Spectroscopy

    Venkatesan Thimmakondu

  21. The equilibrium geometries of heptatriynylidene, cyclohepta-1,2,3,4-tetraen-6-yne, and heptahexaenylidene

    Article • Computational and Theoretical Chemistry, March 2016, Elsevier

    Venkatesan Thimmakondu

  22. Matrix-Isolated Infrared Absorption Spectrum of CH2IOO Radical

    Article • The Journal of Physical Chemistry A, January 2016, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  23. Electronic Transitions of C6H4+ Isomers: Neon Matrix and Theoretical Studies

    Article • The Journal of Physical Chemistry A, October 2013, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  24. Carbonyl Diazide, OC(N3)2: Synthesis, Purification, and IR Spectrum

    Article • Inorganic Chemistry, August 2012, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  25. Theoretical analysis of photoinduced H-atom elimination in thiophenol

    Article • The Journal of Chemical Physics, May 2012, American Institute of Physics

    Venkatesan Thimmakondu

  26. On the Jahn–Teller and pseudo-Jahn–Teller effects in the photoelectron spectrum of cyclopropane

    Article • Journal of Molecular Structure, July 2007, Elsevier

    Venkatesan Thimmakondu

  27. Vibronic interactions in the photodetachment spectroscopy of phenide anion

    Article • The Journal of Chemical Physics, February 2007, American Institute of Physics

    Venkatesan Thimmakondu

  28. Multimode Jahn−Teller and Pseudo-Jahn−Teller Interactions in the Cyclopropane Radical Cation:  Complex Vibronic Spectra and Nonradiative Decay Dynamics

    Article • The Journal of Physical Chemistry A, February 2007, American Chemical Society (ACS)

    Venkatesan Thimmakondu

  29. Multistate and multimode vibronic dynamics: The Jahn–Teller and pseudo-Jahn–Teller effects in the ethane radical cation

    Article • Chemical Physics, October 2006, Elsevier

    Venkatesan Thimmakondu

  30. The Jahn–Teller and pseudo-Jahn–Teller effects in the anion photoelectron spectroscopy of B3 cluster

    Article • Journal of Computational Chemistry, January 2006, Wiley

    Venkatesan Thimmakondu

  31. Exploring the Jahn-Teller and pseudo-Jahn-Teller conical intersections in the ethane radical cation

    Article • The Journal of Chemical Physics, September 2005, American Institute of Physics

    Venkatesan Thimmakondu

  32. Theoretical Investigation of Jahn−Teller Dynamics in the2E‘ Electronic Ground State of the Cyclopropane Radical Cation

    Article • The Journal of Physical Chemistry A, March 2004, American Chemical Society (ACS)

    Venkatesan Thimmakondu