Partha Bera

Partha Bera
 

Professional Biography:

NASA Postdoctoral Program Fellow - present

BIO:

Research Scientist, 2011-Present

Education:

Phd in Physical Chemistry 2007 Center for Computational Chemistry, The University of Georgia
MSc in Physical Chemistry Chemistry 2000 The University of Calcutta, Presidency College, Kolkata, India
BSc in Chemistry 1998 Presidency College, Kolkata, India

Research Interests:

Physical Chemistry, Quantum Chemistry, Electronic Structure Theory, Computational Chemistry, Atmospheric Chemistry, Astrochemistry

Select Publications:

  • “Characterization of the Azirinyl Cation and Its Isomers”
    Sara I. L. Kokkila-Schumacher, Partha P. Bera, and Timothy J. Lee, J. Phys. Chem. A, 120, 1275 (2016), DOI
  • “LOW TEMPERATURE FORMATION OF NITROGEN-SUBSTITUTED POLYCYCLIC AROMATIC
    HYDROCARBONS (PANHs)—BARRIERLESS ROUTES TO DIHYDRO(iso)QUINOLINES”
    Dorian Parker, Tao Yang, Beni Dangi, Ralf Kaiser, Partha P. Bera, and Timothy J. Lee, Astrophys J., 815, 115 (2015), DOI
  • “Hydrocarbon growth via ion-molecule reactions: computational studies of the isomers of C4H2+,C6H2+ and C6H4+ and their formation paths from acetylene and its fragments”
    Partha P. Bera, Roberto Peverati, Martin Head-Gordon, and Timothy J. Lee, Phys. Chem. Chem. Phys. 17, 1859 (2015), DOI
  • “Evidence for the Formation of Pyrimidine Cations from the Sequential Reactions of Hydrogen Cyanide with the Acetylene Radical Cation”
    Ahmed Hamid, Partha P. Bera, Timothy J. Lee, Saadullah Aziz, Abdulrahman Al-Youbi, M. Samy El-Shal, J. Phys. Chem Lett. 5, 3392-2298 (2014), DOI
  • “Formation and Stability of C6H3+ Isomers”
    Roberto Peverati, Partha P. Bera, Martin Head-Gordon, and Timothy J. Lee, J. Phys. Chem A 118, 10109-16 (2014), DOI
  • “Photosynthesis and photostability of nucleobases in prebiotic and extraterrestrial ices”
    Scott A. Sandford, Partha P. Bera, Christopher Materese, Michel Nuevo, and Timothy J. Lee, Topics in Current Chemistry: Photo-induced phenomena in Nucleic Acids, 356, 123-164 (2014), DOI
  • “Relative energies, structures, vibrational frequencies, and electronic spectra of pyrylium cation, an oxygen-containing carbocyclic ring isoelectronic with benzene, and its isomers”
    Partha P. Bera, Martin Head-Gordon, and Timothy J. Lee, J. Chem. Phys. 139, 174302 (2013), DOI
  • “Thymine and other prebiotic molecules produced from the ultraviolet photoirradiation of pyrimidine in simple astrophysical ice analogs”
    Christopher K. Materese, Michel Nuevo, Partha P. Bera, Timothy J. Lee, and Scott A. Sandford, Astrobiology. 13, 948, (2013) DOI
  • “Association mechanisms of unsaturated C2 hydrocarbons with their cations: acetylene and ethylene”
    Partha P. Bera, Martin Head-Gordon, and Timothy J. Lee, Phys. Chem. Chem. Phys. 15, 2012-2023 (2012). DOI
  • “Morning after in Mars” Partha P. Bera, India Today magazine, Special Report, 27 August, 2012.
  • “Photochemistry and photophysics of n-butanal, 3-methylbutanal and 3,3-dimethylbutanal: Experimental and theoretical study”,
    Jovan M. Geert Moorgat, Partha P. Bera, Max Lowenstein, Emma Yates and Timothy J. Lee, J. Phys. Chem. A, 116, 5830-5839 (2012), DOI
  • “Initiating molecular growth in the interstellar medium via complexes of observed ions and molecules”
    Partha P. Bera, Martin Head-Gordon, and Timothy J. Lee, Astron & Astrophys. 535, A74, (2011) DOI
  • “Mechanism for the abiotic synthesis of Uracil via UV induced oxidation of Pyrimidine in astrophysical condition”
    Partha. P. Bera (corresponding author), Michel Nuevo, Stefanie Milam, Scott Sandford, and Timothy J. Lee J. Chem. Phys. 133, 104303 (2010). DOI
  • “Design Strategies to Minimize Radiative Efficiencies of Global Warming Molecules”,
    Partha. P. Bera, Joseph S. Francisco, and Timothy J. Lee Proc. Natl. Acad. Sci. USA, 107, 9049-9054 (2010). DOI
  • Some news items about our paper: NatureChemistry, Discovery, NASA NewScientist

  • “Identifying the Molecular Origin of Global Warming”,
    Partha. P. Bera, Joseph S. Francisco, and Timothy J. Lee J. Phys. Chem. A, 113, 12694-12699 (2009). DOI
  • “Are Isomers of Vinyl Cyanide Ion Missing Links for Interstellar Pyrimidine Formation?”,
    Partha. P. Bera (corresponding author), Timothy J. Lee, and H. F. Schaefer, J. Chem. Phys., 131, 074303-074311 (2009). DOI
  • “Born-Oppenheimer Symmetry Breaking in the C (tilde) State of NO2: Importance of Static and Dynamic Correlation Effects”,
    Partha P. Bera, Yukio Yamaguchi, H. F. Schaefer, and T. Daniel Crawford J. Phys. Chem. A, 112, 2669-2676 (2008). DOI
  • “The Low Lying Quartet Electronic States of Nitrogen Dioxide”,
    Partha. P. Bera, Yukio Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 127, 174303-174312 (2007). DOI
  • “Deprotonated Guanine-Cytosine Base Pair”, Maria C. Lind,
    Partha. P. Bera, Nancy Richrdson, Steven Wheeler, and H. F. Schaefer, Proc. Natl. Acad. Sci. USA, 103, 7554-7559 (2006). DOI
  • “Mindless Chemistry”,
    Partha. P. Bera, K. Sattelmeyer, M. Saunders, H. F. Schaefer, and P. v. R. Schleyer, J. Phys. Chem. A, 110, 4287 (2006). DOI Most Accessed article in J. Phys. Chem. A in 2006. DOI
  • “(G-H)-C and G-(C-H) Radicals Derived From the Guanine-Cytosine Base Pair Cause DNA Subunit Lesions”,
    Partha. P. Bera and H. F. Schaefer, Proc. Natl. Acad. Sci. USA, 102, 6698-6703 (2005). DOI
  • “Cyclic Perfluorocarbon Radicals and Anions Having High Global Warming Potentials (GWPs): Structures, Electron Affinities, and Vibrational Frequencies”,
    Partha. P. Bera, L. Horny, and H. F. Schaefer, J. Am. Chem. Soc., 126, 6692-6702 (2004). DOI

Full list of publications: ResearcherID Profile