Anirban Hazra - Publications

Affiliations: 
2011- IISER Pune, Pune, Maharashtra, India 
Area:
Theoretical and computational chemistry, physical chemistry
Website:
https://sites.google.com/view/anirbanhazra/people?authuser=0

26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Datar A, Paithankar H, Deb P, Chugh J, Bagchi S, Mukherjee A, Hazra A. Water-Controlled Keto-Enol Tautomerization of a Prebiotic Nucleobase. The Journal of Physical Chemistry. B. 126: 5735-5743. PMID 35895006 DOI: 10.1021/acs.jpcb.2c02507  0.742
2022 Manae MA, Hazra A. Quantum effects in photosensitization: the case of singlet oxygen generation by thiothymines. Physical Chemistry Chemical Physics : Pccp. 24: 13266-13274. PMID 35604080 DOI: 10.1039/d2cp01337a  0.75
2021 Sakpal SS, Ghosh D, Manae MA, Hazra A, Bagchi S. The Curious Case of Aqueous Warfarin: Structural Isomers or Distinct Excited States? The Journal of Physical Chemistry. B. PMID 33728913 DOI: 10.1021/acs.jpcb.0c10824  0.751
2020 Sadhukhan D, Hazra A, Patwari GN. Bend to Break: Curvilinear Proton Transfer in Phenol-Ammonia Clusters. The Journal of Physical Chemistry. A. PMID 32227953 DOI: 10.1021/Acs.Jpca.0C00102  0.327
2019 Manae MA, Hazra A. Triplet Decay Dynamics in Sulfur Substituted Thymine: How Position of Substitution Matters. The Journal of Physical Chemistry. A. PMID 31790228 DOI: 10.1021/Acs.Jpca.9B08214  0.761
2019 Manae MA, Hazra A. Graphical Representation of Hydrogenic Orbitals: Incorporating Both Radial and Angular Parts of the Wave Function Journal of Chemical Education. 96: 187-190. DOI: 10.1021/Acs.Jchemed.8B00372  0.725
2018 Gudem M, Hazra A. Mechanism of the Chemiluminescent Reaction between Nitric Oxide and Ozone. The Journal of Physical Chemistry. A. PMID 30380861 DOI: 10.1021/Acs.Jpca.8B08812  0.766
2018 Gudem M, Hazra A. Intersystem Crossing Drives Photoisomerization in o-Nitrotoluene, a Model for Photolabile Caged Compounds. The Journal of Physical Chemistry. A. PMID 29733607 DOI: 10.1021/Acs.Jpca.8B03439  0.776
2017 Manae MA, Hazra A. Interplay between Conjugation and Size-Driven Delocalization Leads to Characteristic Properties of Substituted Thymines. The Journal of Physical Chemistry. A. 121: 8147-8153. PMID 28960980 DOI: 10.1021/Acs.Jpca.7B08566  0.748
2017 Chauhan DP, Varma SJ, Gudem M, Panigrahi N, Singh K, Hazra A, Talukdar P. Intramolecular cascade rearrangements of enynamine derived ketenimines: access to acyclic and cyclic amidines. Organic & Biomolecular Chemistry. PMID 28530734 DOI: 10.1039/C7Ob00499K  0.739
2017 Mondal SI, Sen S, Hazra A, Patwari GN. Π-Stacked Dimers of Fluorophenylacetylenes: Role of Dipole Moment. The Journal of Physical Chemistry. A. PMID 28406637 DOI: 10.1021/Acs.Jpca.7B00209  0.384
2017 Datar A, Hazra A. Pathways for Excited-State Nonradiative Decay of 5,6-Dihydroxyindole, a Building Block of Eumelanin. The Journal of Physical Chemistry. A. 121: 2790-2797. PMID 28314098 DOI: 10.1021/Acs.Jpca.7B01110  0.75
2016 Manae MA, Hazra A. Helping Students Understand the Role of Symmetry in Chemistry Using the Particle-in-a-Box Model Journal of Chemical Education. 93: 1056-1060. DOI: 10.1021/Acs.Jchemed.5B00856  0.731
2013 Malwal SR, Gudem M, Hazra A, Chakrapani H. Benzosultines as sulfur dioxide (SO2) donors. Organic Letters. 15: 1116-9. PMID 23421429 DOI: 10.1021/Ol400190F  0.732
2011 Hazra A, Soudackov AV, Hammes-Schiffer S. Isotope Effects on the Nonequilibrium Dynamics of Ultrafast Photoinduced Proton-Coupled Electron Transfer Reactions in Solution. The Journal of Physical Chemistry Letters. 2: 36-40. PMID 26295211 DOI: 10.1021/Jz101532G  0.488
2011 Soudackov AV, Hazra A, Hammes-Schiffer S. Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: sequential, concerted, and complex branching mechanisms. The Journal of Chemical Physics. 135: 144115. PMID 22010706 DOI: 10.1063/1.3651083  0.497
2011 Hazra A, Soudackov AV, Hammes-Schiffer S. Correction to “Isotope Effects on the Nonequilibrium Dyanamics of Ultrafast Photoinduced Proton-Coupled Electron Transfer Reactions in Solution” The Journal of Physical Chemistry Letters. 2: 1892-1892. DOI: 10.1021/Jz2009693  0.437
2011 Hazra A, Soudackov AV, Hammes-Schiffer S. Isotope effects on the nonequilibrium dynamics of ultrafast photoinduced proton-coupled electron transfer reactions in solution Journal of Physical Chemistry Letters. 2: 36-40. DOI: 10.1021/jz101532g  0.443
2010 Hazra A, Soudackov AV, Hammes-Schiffer S. Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution. The Journal of Physical Chemistry. B. 114: 12319-32. PMID 20809583 DOI: 10.1021/Jp1051547  0.496
2009 Hazra A, Skone JH, Hammes-Schiffer S. Combining the nuclear-electronic orbital approach with vibronic coupling theory: calculation of the tunneling splitting for malonaldehyde. The Journal of Chemical Physics. 130: 054108. PMID 19206959 DOI: 10.1063/1.3068526  0.483
2005 Hazra A, Nooijen M. Comparison of various franck-condon and vibronic coupling approaches for simulating electronic spectra: The case of the lowest photoelectron band of ethylene Physical Chemistry Chemical Physics. 7: 1759-1771. PMID 19787936 DOI: 10.1039/B500055F  0.598
2005 Hazra A, Nooijen M. Vibronic coupling in the excited cationic states of ethylene: simulation of the photoelectron spectrum between 12 and 18 eV. The Journal of Chemical Physics. 122: 204327. PMID 15945744 DOI: 10.1063/1.1924594  0.634
2005 Hazra A, Nooijen M. Vibronic coupling in the excited cationic states of ethylene: Simulation of the photoelectron spectrum between 12 and 18 eV Journal of Chemical Physics. 122. DOI: 10.1063/1.1924594  0.306
2004 Hazra A, Chang HH, Nooijen M. First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approach. The Journal of Chemical Physics. 121: 2125-36. PMID 15260766 DOI: 10.1063/1.1768173  0.617
2003 Nooijen M, Wladyslawski M, Hazra A. Cumulant approach to the direct calculation of reduced density matrices: A critical analysis Journal of Chemical Physics. 118: 4832-4848. DOI: 10.1063/1.1545779  0.576
2003 Hazra A, Nooijen M. Derivation and Efficient Implementation of a Recursion Formula to Calculate Harmonic Franck-Condon Factors for Polyatomic Molecules International Journal of Quantum Chemistry. 95: 643-657. DOI: 10.1002/Qua.10723  0.546
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