Journal Publications

Search by Faculty: Sabyashachi Mishra

Visible-Light-Activated Divergent Reactivity of Dienones: Dimerization in Neat Conditions and Regioselective E to Z Isomerization in the Solvent.
Authors : S. Naskar, S. Roy Chowdhury, S. Mondal, D. K. Maiti, S. Mishra, and I. Das
Volumn : , Pages :
Journal : Organic Letters, Year : 2019, Post On : 21-05-2019
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Diruthenium(II)-capped Oligothienylethynyl Bridged Highly Soluble Organometallic Wires Exhibiting Long-range Electronic Coupling
Authors : S. Roy, A. Sil, D. Giri, S. Roy Chowdhury, S. Mishra and S. K. Patra
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Journal : Dalton Trans. 47, 14293, Year : 2018, Post On : 22-12-2018
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L-Captopril and its Derivatives as Potential Inhibitors of Microbial Enzyme DapE: A Combined Approach of Drug Repurposing and Similarity Screening
Authors : D. Dutta and S. Mishra
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Journal : J. Mol. Graphics Modell. 84 (2018) 82-89., Year : 2018, Post On : 22-12-2018

Synthesis and Studies on Gelation Ability of Phenol Based Maleate Amphiphile and its Application in Nutraceutical Release
Authors : B. A. Kumar, S. Roy Chowdhury, S. Mishra and R. R. Nayak
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Journal : Colloids Surf. A 537 (2017) 310-317., Year : 2017, Post On : 22-12-2018

Large Magnetic Anisotropy in Linear Co(II) Complexes: Ab Initio Investigation of Role of Ligand Field, Structural Distortion, and Conformational Dynamics
Authors : S. Roy Chowdhury and S. Mishra
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Journal : Eur. J. Inorg. Chem. (2017) 659-668., Year : 2017, Post On : 22-12-2018

Heavy Ligand Atom Induced Large Magnetic Anisotropy in Mn(II) Complexes
Authors : S. Roy Chowdhury and S. Mishra
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Journal : Phys Chem Chem Phys 19 (2017) 16914-16922., Year : 2017, Post On : 22-12-2018

Active Site Dynamics in the Substrate Hydrolysis Catalyzed by DapE Enzyme and Its Mutants from Hybrid QM/MM Molecular Dynamics Simulation
Authors : D. Dutta and S. Mishra
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Journal : J. Phys. Chem. B 121 (2017) 7075-7085., Year : 2017, Post On : 22-12-2018

Carboxylate coordination assisted aggregation for quasi-tetrahedral and partial-dicubane [Cu4] coordination clusters
Authors : T. S. Mahapatra, A. Bauza, D. Dutta, S. Mishra, A. Frontera, and D. Ray
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Journal : ChemistrySelect 1 (2016) 64-74., Year : 2016, Post On : 22-12-2018

Specific Inhibition of beta-Secretase Processing of the Alzheimer Disease Amyloid Precursor Protein
Authors : S. B. Halima, S. Mishra, K. M. Raja, M. Willem, A. Baici, K. Simons, O. Brustle, P. Koch, C. Haass, A. Caflisch, L. Rajendran
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Journal : Cell Reports, 14 (2016) 2127-2141. , Year : 2016, Post On : 22-12-2018

QM/MM Simulation of the Amide-I Band in the Raman Spectrum of Insulin
Authors : B. Tah, D. Dutta, P. Pal, G. B. Talapatra, and S. Mishra
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Journal : Mol. Phys. 114 (2016) 1939-1951., Year : 2016, Post On : 22-12-2018

Structural and mechanistic insight into the substrate binding from the conformational dynamics in apo and substrate-bound DapE enzyme
Authors : D. Dutta and S. Mishra
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Journal : Phys. Chem. Chem. Phys. 18 (2016) 1671-1680., Year : 2016, Post On : 22-12-2018

The Role of Spin-Orbit Coupling in the Double-Ionization Photoelectron Spectra of XCN2+ (X = Cl, Br, and I)
Authors : S. Manna and S. Mishra
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Journal : J. Phys. Chem. A 120 (2016) 1554-1561., Year : 2016, Post On : 22-12-2018

Loss of Catalytic Activity in the E134D, H67A, and H349A Mutants of DapE: Mechanistic Analysis with QM/MM Investigation
Authors : D. Dutta and S. Mishra
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Journal : J. Phys. Chem. B 120 (2016) 11654-11664., Year : 2016, Post On : 22-12-2018

Structural diversity of copper(I) complexes formed by pyrrole- and dipyrrolylmethane-based diphosphine ligands with Cu-X...HN hydrogen bonds
Authors : S. Kumar, G. Mani, D. Dutta, and S. Mishra
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Journal : Inorg. Chem. 53 (2014) 700., Year : 2014, Post On : 22-12-2018

Quantum-mechanical DFT calculation supported Raman spectroscopic study of some amino acids in bovine insulin
Authors : B. Tah, P. Pal, S. Roy, D. Dutta, S. Mishra, M. Ghosh, and G. B. Talapatra
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Journal : Spectrochim. Acta A 129 (2014) 345-351., Year : 2014, Post On : 22-12-2018

Interaction of insulin with anionic phospholipid (DPPG) vesicles
Authors : B. Tah, P. Pal, S. Mishra, and G. B. Talapatra
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Journal : Phys. Chem. Chem. Phys. 16 (2014) 3987-3991., Year : 2014, Post On : 22-12-2018

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
Authors : D. Dutta and S. Mishra
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Journal : Phys. Chem. Chem. Phys. 16 (2014) 26348-26358., Year : 2014, Post On : 22-12-2018

Dynamics in the active site of beta secretase: A network analysis of atomistic simulations
Authors : S. Mishra and A. Caflisch
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Journal : Biochemistry 50 (2011) 9328., Year : 2011, Post On : 22-12-2018

Atomistic simulation of NO dioxygenation in group I truncated hemoglobin
Authors : S. Mishra and M. Meuwly
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Journal : J. Am. Chem. Soc. 132 (2010) 2968., Year : 2010, Post On : 22-12-2018

Reactive processes with molecular simulations
Authors : S. Mishra and M. Meuwly
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Journal : In Kinetics and Dynamics From Nano to Bio Scale. Springer Series: Challenges and Advances in Computational Chemistry and Physics, Volume 12 (2010) Chapter 5., Year : 2010, Post On : 22-12-2018

Quantitative analysis of ligand migration from transition networks
Authors : S. Mishra and M. Meuwly
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Journal : Biophys. J. 99 (2010) 3969., Year : 2010, Post On : 22-12-2018

Nitric oxide dynamics in truncated hemoglobin: Docking sites, migration pathways, and vibrational spectroscopy from molecular dynamics simulations
Authors : S. Mishra and M. Meuwly
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Journal : Biophys. J. 96 (2009) 2105., Year : 2009, Post On : 22-12-2018

Renner-Teller and spin-orbit vibronic-coupling effects in linear triatomic molecules with a half-filled pi shell
Authors : I. Sioutis, S. Mishra, L. V. Poluyanov, and W. Domcke
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Journal : J. Chem. Phys. 128 (2008) 124318., Year : 2008, Post On : 22-12-2018

Structural and spectroscopic study of the excited electronic states of silver dihalides by quantum chemical methods
Authors : S. Mishra
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Journal : Phys.Chem. Chem. Phys. 10 (2008) 3987., Year : 2008, Post On : 22-12-2018

Quasiclassical theory of the dynamical Exe Jahn-Teller effect including spin-orbit interaction
Authors : L. V. Poluyanov, S. Mishra, and W. Domcke
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Journal : Mol. Phys. 105 (2007) 1471., Year : 2007, Post On : 22-12-2018

Quasistationary upper-well states of Exe Jahn-Teller systems with spin-orbit coupling
Authors : L. V. Poluyanov, S. Mishra, and W. Domcke
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Journal : Chem. Phys. 332 (2007) 243., Year : 2007, Post On : 22-12-2018

Spin-orbit vibronic coupling in 3II states of linear triatomic molecules
Authors : S. Mishra, L. V. Poluyanov, and W. Domcke
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Journal : J. Chem. Phys. 126 (2007) 134312., Year : 2007, Post On : 22-12-2018

Theoretical calculation of the photodetachment spectra of XAuY- (X, Y= Cl, Br, and I)
Authors : S. Mishra
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Journal : J. Phys. Chem. A 111 (2007) 9164., Year : 2007, Post On : 22-12-2018

A study of spin-orbit vibronic-coupling effects in the A3II state of CCX (X = O, S, Se) and CNY (Y = N, P, As)
Authors : S. Mishra, W. Domcke, and L. V. Poluyanov
Volumn : , Pages :
Journal : Chem. Phys. Lett. 446 (2007) 256, Year : 2007, Post On : 22-12-2018

The relativistic Exe Jahn-Teller effect revisited
Authors : W. Domcke, S. Mishra, and L. V. Poluyanov.
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Journal : Chem. Phys. 322 (2006) 405., Year : 2006, Post On : 22-12-2018

Importance of spin-orbit coupling for the assignment of the photodetachment spectra of AuX2, X= Cl, Br, and I
Authors : S. Mishra, V. Vallet, and W. Domcke.
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Journal : ChemPhysChem. 7 (2006) 723., Year : 2006, Post On : 22-12-2018

Calculation of the vibronic structure of the X2II photoelectron spectra of XCN, X= F, Cl, and Br
Authors : S. Mishra, V. Vallet, L. V. Poluyanov, and W. Domcke.
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Journal : J. Chem. Phys. 124 (2006) 044317., Year : 2006, Post On : 22-12-2018

Study of strong Sigma-II and spin-orbit vibronic coupling in linear triatomic molecules
Authors : S. Mishra, W. Domcke, and L. V. Poluyanov
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Journal : Chem. Phys. 327(2006) 457., Year : 2006, Post On : 22-12-2018

Calculation of the vibronic structure of the photodetachment spectra of CCCl- and CCBr-
Authors : S. Mishra, V. Vallet, L. V. Poluyanov, and W. Domcke
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Journal : J. Chem. Phys. 125 (2006) 164327., Year : 2006, Post On : 22-12-2018

Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules
Authors : S. Mishra, V. Vallet, L. V. Poluyanov, and W. Domcke.
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Journal : J. Chem. Phys. 123 (2005) 124104., Year : 2005, Post On : 22-12-2018