Hueckel Molecular Orbital Theory on a Quantum Computer: A Scalable System-Agnostic Variational Implementation with Compact Encoding
Authors : Harshdeep Singh, Sonjoy Majumder, and Sabyashachi Mishra
Volumn : arXiv:2312.02020, Pages :
Journal : arXiv (quant-ph), Year : 2023, Post On : 28-12-2023
Link   

On The Study Of Partial Qubit Hamiltonian For Efficient Molecular Simulation Using Variational Quantum Eigensolvers
Authors : Harshdeep Singh, Sabyashachi Mishra, Sonjoy Majumder
Volumn : arXiv:2308.12524, Pages :
Journal : arXiv (quant-ph), Year : 2023, Post On : 28-12-2023
Link   

2-Anilidomethylpyridine-Derived Three-Coordinate Zinc Hydride: The Journey Unveils Anilide Backbone’s Reactive Nature
Authors : C. Mandal, S. Joshi, S. Das, S. Mishra, and D. Mukherjee
Volumn : , Pages :
Journal : Inorg. Chem. (2023) In Press., Year : 2023, Post On : 27-12-2023

Functionalized Carbon Nano-Onions as a Smart Drug Delivery System for the Poorly Soluble Drug Carmustine for the Management of Glioblastoma
Authors : R. Majumder, S. Karmakar, S. Mishra, A. B. Mallick, C. Das Mukhopadhyay
Volumn : , Pages :
Journal : ACS Appl. Bio Mater. (2023) In Press., Year : 2023, Post On : 27-12-2023

The Interplay of Vibronic and Spin-Orbit Coupling in the Fluorescence Quenching in trans-dithionated PDI
Authors : K. Dakua, K. Rajak, and S. Mishra
Volumn : 159, Pages : 114302
Journal : J. Chem. Phys., Year : 2023, Post On : 27-12-2023

Benchmarking of Different Optimizers in the Variational Quantum Algorithms for Applications in Quantum Chemistry
Authors : H. Singh, S. Majumder, and S. Mishra
Volumn : 159, Pages : 044117
Journal : J. Chem. Phys., Year : 2023, Post On : 27-12-2023

Spin-State Energetics and Magnetic Anisotropy in Penta-coordinated Fe(III) Complexes with Different Axial and Equatorial Ligand Environments
Authors : S. Joshi, S. Roy Chowdhury, and S. Mishra
Volumn : 25, Pages : 17680-17691
Journal : Phys. Chem. Chem. Phys., Year : 2023, Post On : 27-12-2023

Excited-State Photophysics of Curcumin and its Modulation in Alkaline Non-Aqueous Medium
Authors : M. Ghosh, S. Parida, H. Khatoon, N. Bera, S. Mishra, and N. Sarkar
Volumn : , Pages :
Journal : ChemPhysChem (2023) e202300174., Year : 2023, Post On : 27-12-2023

A coumarin-salicylidene based fluorescent chemodosimeter for sub-ppb level detection of aluminium ion via metal ion induced hydrolytic cleavage of aldimine bond
Authors : S. K. Padhan, S. Muduli, N. Murmu, G. Sahoo, S. Mishra, and S. N. Sahu
Volumn : 384, Pages : 122292
Journal : J. Mol. Liq., Year : 2023, Post On : 27-12-2023

Energy Storage Application of Conducting Polymers Featuring Dual Acceptors: Exploring Conjugation and Flexible Chain Length Effects
Authors : S. K. Pati, D. Patra, S. Muduli, S. Mishra, and S. Park
Volumn : , Pages : 2300689
Journal : Small, Year : 2023, Post On : 27-12-2023

Deciphering the Role of the Two Metal–Binding Sites of DapE Enzyme via Metal Substitution
Authors : A. Paul and S. Mishra
Volumn : , Pages : 103 (2023) 107832
Journal : Comput. Biol. Chem., Year : 2023, Post On : 27-12-2023

Ligands-Induced Open-Close Conformational Change during DapE Catalysis: Insights from Molecular Dynamics Simulations
Authors : S. Muduli, S. Mishra,
Volumn : (In Press), Pages :
Journal : PROTEINS, Year : 2023, Post On : 03-01-2023

Synthesis and Application of Dual Electron-Deficient Featured Copolymers and their Sequential Fluorination for Ambipolar Organic Thin Film Transistors
Authors : D. Patra, X. Zhan, R. Linthoinganbi, S. Muduli, S. Mishra, Y. Liu, and S. Park
Volumn : (In Press), Pages :
Journal : J. Mat. Chem. C, Year : 2023, Post On : 03-01-2023

Self-Assembling Behaviour of Perylene, Perylene Diimide, and Thionated Perylene Diimide Deciphered through Non-Covalent Interactions
Authors : S. Parida, S.K. Patra and S. Mishra
Volumn : (In Press), Pages :
Journal : ChemPhysChem, Year : 2022, Post On : 24-08-2022

Transition Metal Phthalocyanines as Redox Mediators in Li–O2 Batteries: A Combined Experimental and Theoretical Study of the Influence of 3d Electrons in Redox Mediation
Authors : S. Mandal, R. Samajdar, S. Parida, S. Mishra, A. Bhattacharyya
Volumn : , Pages :
Journal : ACS Appl. Mater. Interfaces, Year : 2022, Post On : 10-06-2022
Link    Abstract

Identification of potential inhibitors against FemX of Staphylococcus aureus: A hierarchial in-silico drug repurposing approach
Authors : S. Rahman, K. Rajak, S. Mishra, and A. K. Das
Volumn : (In Press), Pages :
Journal : J. Mol. Graph. Model., Year : 2022, Post On : 24-05-2022
Abstract

Spin-Vibronic Coupling in the Quantum Dynamics of a Fe(III) Trigonal Bipyramidal Complex
Authors : K. K. Dakua, K. Rajak, and S. Mishra
Volumn : 156, Pages : 134103
Journal : J. Chem. Phys. (2022), Year : 2022, Post On : 29-03-2022

Modulation of Electrochemical and Spectroscopic Properties in Ru(II)-Terpyridyl End-capped Homobimetallic Organometallic Complexes by Varying pi-Conjugated Organic Spacers
Authors : A. Sil, S. S. Roy, V. K. Mishra, S. N. Islam, S. Mishra, and S. K. Patra
Volumn : (In Press), Pages :
Journal : Chemistry Select (2022), Year : 2022, Post On : 29-03-2022

Selective and Swift-responsive off-on Rhodamine B Based Chemosensors: Recognition of Multi-Metal Ions, On-site Sensing of Fe(III) in Water Samples and Bioimaging in Aqueous Media
Authors : H. Battula, S. Muduli, S. P. Bandi, S. Kapoor, S. Mishra, H. Aggarwal, V. Venuganti, S. Jayanty
Volumn : (In Press), Pages :
Journal : J. Photochem. Photobiol. A, Year : 2022, Post On : 29-03-2022
Abstract

Pomegranate Peel Polyphenols Prophylaxis Against SARS-CoV-2 Main Protease by In-silico Docking and Molecular Dynamics Study
Authors : M. Rakshit, S. Muduli, P. Srivastav and S. Mishra
Volumn : , Pages : 1-15
Journal : Journal of Biomolecular Structure and Dynamics, Year : 2021, Post On : 09-12-2021
Link    Abstract

7,7-bis(N, N-diethylethylenediamino)-8,8-dicyanoquinodimethane: Effect of Ethyl Moiety on the Photophysical Property besides Thermal Stability
Authors : Syed, A., Mishra, S. Jayanty, S.
Volumn : (In Press), Pages :
Journal : Journal of Fluorescence, Year : 2021, Post On : 09-12-2021
Link    Abstract

Metal-Ion Promiscuity of Microbial Enzyme DapE at its Second Metal Binding Site
Authors : A. Paul and S. Mishra
Volumn : 26, Pages : 569-582
Journal : J Biol Inorg Chem 26, 569–582 (2021), Year : 2021, Post On : 29-09-2021
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Synthesis, Structural Characterization, and Bonding Analysis of Two-coordinate Copper(i) and Silver(i) Complexes of Pyrrole-based bis(phosphinimine): New Metal-Pyrrole Ring ?-Interactions
Authors : V. K. Jha, S. Das, V. Subramaniyan, T. Guchhait, K. K. Dakua, S. Mishra and G. Mani
Volumn : 50, Pages :
Journal : Dalton Trans., 2021,50, 8036-8044, Year : 2021, Post On : 29-09-2021
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Distinct Tetracyanoquinodimethane Derivatives: Enhanced Fluorescence in Solutions and Unprecedented Cation Recognition in the Solid State
Authors : A. Syed, H. Battula, S. Mishra, and S. Jayanty
Volumn : 6, Pages : 3090-3105
Journal : ACS Omega, Year : 2021, Post On : 29-09-2021
Link   

Role of Substituents at 3?position of Thienylethynyl Spacer on Electronic Properties in Diruthenium(II) Organometallic Wire?like Complexes
Authors : S. S. Roy, S. Roy Chowdhury, S. Mishra, and S. K. Patra
Volumn : 15, Pages : 3304-3313
Journal : Chem.asian.J, Year : 2020, Post On : 29-09-2021
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C3-Thioester/-Ester Substituted Linear Dienones: A Pluripotent Molecular Platform for Diversification via Cascade Pericyclic Reactions
Authors : A. Bankura, S. Naskar, S. Roy Chowdhury, R. Maity, S. Mishra, and I. Das
Volumn : 362, Pages : 3604
Journal : Adv. Synth. Catal., Year : 2020, Post On : 18-09-2020
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Aging Dependent Morphological Crystallinity Determines Membrane Activity of L-Phenylalanine Self-Assembles
Authors : P. Banerjee, K. Rajak, P.K. Nandi, S. Pal, M.Ghosh, S. Mishra and N. Sarkar
Volumn : , Pages :
Journal : J. Phys. Chem. Lett. (2020), Just accepted, Year : 2020, Post On : 17-09-2020
Link    Abstract

Through bond energy transfer (TBET)-operated fluoride ion sensing via spirolactam ring opening of a coumarin–fluorescein bichromophoric dyad†
Authors : S.K. Pradhan, V.K. Mishra, N.Murmu, S.Mishra and S.N. Sahu
Volumn : 10, Pages : 28422-28430
Journal : RSC Adv., (2020),10, 28422-28430, Year : 2020, Post On : 16-09-2020
Link    Abstract

Flipped regiospecificity in L434F mutant of 8-lipoxygenase
Authors : V.K. Mishra and S.Mishra
Volumn : 22, Pages : 16013-16022
Journal : Phys. Chem. Chem. Phys.,(2020),22, 16013-16022, Year : 2020, Post On : 16-09-2020
Link    Abstract

Correlation Effects in the Photoelectron Spectrum and Photoionization Dynamics of OsO4
Authors : S. Manna and S. Mishra
Volumn : 22, Pages : 628-641
Journal : Phys. Chem. Chem. Phys. 22 (2020) 628-641, Year : 2020, Post On : 04-12-2019
Link    Download File    Abstract

On the Origin of Regio- and Stereo-Specific Catalysis by 8-Lipoxygenase
Authors : V. K. Mishra and S. Mishra
Volumn : 123, 50, Pages :
Journal : J. Phys. Chem. B 123, 50 (2019) 10605-10621, Year : 2019, Post On : 04-12-2019
Link    Abstract

Light-Induced Spin Crossover in an Intermediate-Spin Penta-Coordinated Iron(III) Complex
Authors : S. Roy Chowdhury and S. Mishra
Volumn : 123, Pages : 9883-9892
Journal : J. Phys. Chem. A 123 (2019) 9883-9892., Year : 2019, Post On : 04-12-2019
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Spin-orbit Vibronic Coupling in Quartet Pi States of Linear Triatomic Molecules
Authors : L. V. Poluyanov, W. Domcke, and S. Mishra
Volumn : 151, Pages : 134103
Journal : J. Chem. Phys. 151 (2019) 134103., Year : 2019, Post On : 04-12-2019
Link    Download File    Abstract

QM/MM-MD Simulation of the Catalytic Hydrolysis of L-Captopril by Microbial Enzyme DapE
Authors : D. Dutta, V. K. Mishra, and S. Mishra
Volumn : 96, Pages : 767-774
Journal : J. Ind. Chem. Soc. 96 (2019) 767-774., Year : 2019, Post On : 04-12-2019
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A Novel PEGylated Block Copolymer in New Age Therapeutics for Alzheimer's Disease.
Authors : S. Som Chaudhury, A. Sannigrahi, M. Nandi, V. K. Mishra, P. De, K. Chattopadhyay, S. Mishra, J. Sil, and C. Das Mukhopadhyay
Volumn : 56, Pages : 6551–6565
Journal : Molecular Neurobiology 56 (2019) 6551-6565., Year : 2019, Post On : 04-12-2019
Link    Download File    Abstract

Synthesis, Structure, Electrochemical and Spectroscopic Properties of Hetero-Bimetallic Ru(II)/Fe(II)-Alkynyl Organometallic Complexes.
Authors : A. Sil, U. Ghosh, V. K. Mishra, S. Mishra, and S. K. Patra
Volumn : 58, Pages : 1155-1166
Journal : Inorg. Chem. 58 (2019) 1155-1166., Year : 2019, Post On : 04-12-2019
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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
Link    Download File    Abstract

Ab Initio Investigation of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes
Authors : S. Roy Chowdhury and S. Mishra
Volumn : 149, Pages : 234302
Journal : J. Chem. Phys., Year : 2018, Post On : 04-12-2019
Link    Abstract

Vibronic Structures and Photoelectron Angular Distribution in the Photoelectron Spectrum of ICN
Authors : S. Manna and S. Mishra
Volumn : 149, Pages : 204308
Journal : J. Chem. Phys. 149 (2018) 204308., Year : 2018, Post On : 04-12-2019
Link    Abstract

Electronic Structure and Photoelectron Spectroscopy of Manganese Dihalides from Quantum Chemical Methods and Dyson Orbitals
Authors : S. Roy Chowdhury, S. Manna, and S. Mishra
Volumn : 515, Pages : 513-520
Journal : Chem. Phys. 515 (2018) 513-520., Year : 2018, Post On : 04-12-2019
Link    Abstract

Synthesis, Structure, and Photophysical and Electrochemical Properties of Ru(II) Complexes of Arylene-vinylene Terpyridyl Conjugates
Authors : A. Sil, S. Roy Chowdhury, S. Mishra and S. K. Patra
Volumn : 47, Pages : 9877-9888
Journal : Dalton Trans. 47 (2018) 9877-9888, Year : 2018, Post On : 04-12-2019
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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
Volumn : , Pages :
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
Volumn : , Pages :
Journal : J. Mol. Graphics Modell. 84 (2018) 82-89., Year : 2018, Post On : 22-12-2018
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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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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.
Volumn : , Pages :
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.
Volumn : , Pages :
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.
Volumn : , Pages :
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
Volumn : , Pages :
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
Volumn : , Pages :
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.
Volumn : , Pages :
Journal : J. Chem. Phys. 123 (2005) 124104., Year : 2005, Post On : 22-12-2018