All Stories

  1. Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules

    Article • The Journal of Chemical Physics, October 2019, American Institute of Physics

    Dr Sabyashachi Mishra, Wolfgang Domcke

  2. Ab initioinvestigation of magnetic anisotropy in intermediate spin iron(iii) complexes

    Article • The Journal of Chemical Physics, December 2018, American Institute of Physics

    Dr Sabyashachi Mishra

  3. Vibronic structure and photoelectron angular distribution in the photoelectron spectrum of ICN

    Article • The Journal of Chemical Physics, November 2018, American Institute of Physics

    Dr Sabyashachi Mishra

  4. Interaction of insulin with anionic phospholipid (DPPG) vesicles

    Article • Physical Chemistry Chemical Physics, August 2014, Royal Society of Chemistry

    Dr Sabyashachi Mishra

  5. Quantum-mechanical DFT calculation supported Raman spectroscopic study of some amino acids in bovine insulin

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, August 2014, Elsevier

    Dr Sabyashachi Mishra

  6. Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu–X···HN Hydrogen Bonds

    Article • Inorganic Chemistry, January 2014, American Chemical Society (ACS)

    Dr Ganesan Mani, Dr Sabyashachi Mishra

  7. The structural and energetic aspects of substrate binding and the mechanism of action of the DapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase (DapE) investigated using a hybrid QM/MM method

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Sabyashachi Mishra

  8. Dynamics in the Active Site of β-Secretase: A Network Analysis of Atomistic Simulations

    Article • Biochemistry, October 2011, American Chemical Society (ACS)

    Dr Sabyashachi Mishra

  9. Atomistic Simulation of NO Dioxygenation in Group I Truncated Hemoglobin

    Article • Journal of the American Chemical Society, February 2010, American Chemical Society (ACS)

    Dr Sabyashachi Mishra

  10. Reactive Processes with Molecular Simulations

    Article • January 2010, Springer Science + Business Media

    Dr Sabyashachi Mishra

  11. Nitric Oxide Dynamics in Truncated Hemoglobin: Docking Sites, Migration Pathways, and Vibrational Spectroscopy from Molecular Dynamics Simulations

    Article • Biophysical Journal, March 2009, Elsevier

    Dr Sabyashachi Mishra

  12. Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled π shell

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Dr Sabyashachi Mishra

  13. Structural and spectroscopic study of the excited electronic states of silver dihalides by quantum chemical methods

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Dr Sabyashachi Mishra

  14. A study of spin–orbit vibronic-coupling effects in theA

    Article • Chemical Physics Letters, October 2007, Elsevier

    Dr Sabyashachi Mishra

  15. Theoretical Calculation of the Photodetachment Spectra of XAuY- (X, Y = Cl, Br, and I)

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

    Dr Sabyashachi Mishra

  16. Quasiclassical theory of the dynamicalE × EJahn–Teller effect including spin–orbit interaction

    Article • Molecular Physics, June 2007, Taylor & Francis

    Dr Sabyashachi Mishra

  17. Spin-orbit vibronic coupling in Π3 states of linear triatomic molecules

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

    Dr Sabyashachi Mishra

  18. Quasistationary upper-well states of E×E Jahn–Teller systems with spin-orbit coupling

    Article • Chemical Physics, February 2007, Elsevier

    Dr Sabyashachi Mishra

  19. Calculation of the vibronic structure of the photodetachment spectra of CCCl− and CCBr−

    Article • The Journal of Chemical Physics, October 2006, American Institute of Physics

    Dr Sabyashachi Mishra

  20. Study of strong Σ–Π and spin–orbit vibronic coupling effects in linear triatomic molecules

    Article • Chemical Physics, September 2006, Elsevier

    Dr Sabyashachi Mishra

  21. Importance of Spin–Orbit Coupling for the Assignment of the Photodetachment Spectra of AuX2− (X=Cl, Br, and I)

    Article • ChemPhysChem, March 2006, Wiley

    Dr Sabyashachi Mishra

  22. The relativistic E×E Jahn–Teller effect revisited

    Article • Chemical Physics, March 2006, Elsevier

    Dr Sabyashachi Mishra

  23. Calculation of the vibronic structure of the X̃Π2 photoelectron spectra of XCN,X=F, Cl, and Br

    Article • The Journal of Chemical Physics, January 2006, American Institute of Physics

    Dr Sabyashachi Mishra

  24. Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules

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

    Dr Sabyashachi Mishra