Home > Academics > Academic Units > Departments > Chemistry > Sabyashachi Mishra
Associate Professor
Chemistry
Theoretical and Computational Chemistry
Spin-orbit vibronic coupling in 4Pi states of linear triatomic molecules by Poluyanov L. V., Domcke W. , Mishra S. J. Chem. Phys. 134103- (2019)
Ab Initio Investigation of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes by Roy Chowdhury S., Mishra S. J. Chem. Phys. 149 234302- (2018)
Vibronic Structures and Photoelectron Angular Distribution in the Photoelectron Spectrum of ICN by Manna S., Mishra S. J. Chem. Phys. 149 204308- (2018)
Active Site Dynamics in the Substrate Hydrolysis Catalyzed by DapE Enzyme and Its Mutants from Hybrid QM/MM Molecular Dynamics Simulation by Mishra S., Dutta D. J. Phys. Chem. B 121 7075-7085 (2017)
Heavy ligand atom induced large magnetic anisotropy in Mn(II) complexes by Roy Chowdhury S., Mishra S. Phys Chem Chem Phys 19 16914-16922 (2017)
Large Magnetic Anisotropy in Linear Co(II) Complexes: Ab Initio Investigation of Role of Ligand Field, Structural Distortion, and Conformational Dynamics by Roy Chowdhury S., Mishra S. Eur. J. Inorg. Chem. 659-668 (2017)
Loss of Catalytic Activity in the E134D, H67A, and H349A Mutants of DapE: Mechanistic Analysis with QM/MM Investigation by Dutta D., Mishra S. J. Phys. Chem. B 120 11654-11664 (2016)
Structural and mechanistic insight into the substrate binding from the conformational dynamics in apo and substrate-bound DapE enzyme by Dutta D., Mishra S. Phys Chem Chem Phys 18 1671-1680 (2016)
The Role of Spin-Orbit Coupling in the Double-Ionization Photoelectron Spectra of XCN2+ (X = Cl, Br, and I) by Manna S., Mishra S. J. Phys. Chem. A 120 1554-1561 (2016)
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 by D. Dutta and S. Mishra Phys Chem Chem Phys 16 - (2014)
Nonadiabatic Dynamics of Spin Crossover in Transition Metal Complexes Council of Scientific and Industrial Research
Perylene-based Supramolecular Polymers: from Controlled Structure to Controlled Function Apex Committee of SPARC
Soumitra Manna
Area of Research: Theoretical Chemistry
Sabyasachi Roy Chowdhury
Area of Research: Theoretical Chemistry
Vipin Kumar Mishra
Area of Research: Computational Chemistry
Atanuka Paul
Area of Research: Computational Chemistry
Shalini Joshi
Area of Research: Computational Chemistry
Sunita Muduli
Area of Research: Computational Chemistry
Sanjukta Parida
Area of Research: Computational Chemistry
Kishan Dakua
Area of Research:
