Publications
Datar, A.; Paithankar, H.; Deb, P.; Chugh, J.; Bagchi, S.; Mukherjee, A; Hazra, A. "Water-Controlled Keto–Enol Tautomerization of a Prebiotic Nucleobase" J. Phys. Chem. B, 2022, 126, 5735-5743
Manae, M. A.; Hazra, A. "Quantum effects in photosensitization: the case of singlet oxygen generation by thiothymines" Phys. Chem. Chem. Phys., 2022, 24, 13266-13274
Hazra, A.; Mukherjee, A. Review of the book "Entropy for Smart Kids and Their Curious Parents" by Arieh Ben-Naim." Curr. Sci., 2021, 121, 161-162
Sakpal, S. S.; Ghosh, D.; Manae, M. A.; Hazra, A.; and Bagchi, S. "The Curious Case of Aqueous Warfarin: Structural Isomers or Distinct Excited States?" J. Phys. Chem. B 2021, 125, 11, 2871–2878
Tan, K. P.; Singh, K.; Hazra, A.; Madhusudhan, M. S. "Peptide bond planarity constrains hydrogen bond geometry and influences secondary structure conformations." Current Research in Structural Biology, 2021, 3, 1-8
Sadhukhan, D.; Hazra, A.; Patwari, G. N. "Bend-to-Break: Curvilinear Proton Transfer in Phenol-Ammonia Clusters." J. Phys. Chem. A, 2020, 124, 16, 3101–3108
Manae, M. A.; Hazra, A. "Triplet Decay Dynamics in Sulfur-Substituted Thymine: How Position of Substitution Matters." J. Phys. Chem. A, 2019, 123, 10862-10867
Manae, M. A.; Hazra, A. "Graphical Representation of Hydrogenic Orbitals: Incorporating both Radial and Angular Parts of the Wave Function ." J. Chem. Educ., 2019, 96, 187–190
Gudem, M; Hazra, A. "Mechanism of the Chemiluminescent Reaction between Nitric Oxide and Ozone." J. Phys. Chem. A, 2019, 123, 715–722. This research was featured on the cover of the January 31, 2019 issue of J. Phys. Chem. A.
Gudem, M; Hazra, A. "Intersystem Crossing Drives Photoisomerization in o-Nitrotoluene, a Model for Photolabile Caged Compounds." J. Phys. Chem. A, 2018, 122, 4845-4853.
Manae, M. A.; Hazra, A. "Interplay between Conjugation and Size-Driven Delocalization Leads to Characteristic Properties of Substituted Thymines." J. Phys. Chem. A, 2017, 121, 8147-8153.
Chaudhari, M. B.; Sutar, Y.; Malpathak, S.; Hazra, A.; Gnanaprakasam, B. "Transition-Metal-Free C−H Hydroxylation of Carbonyl Compounds." Org. Lett., 2017, 19, 3628–3631.
Chauhan, D. P.; Varma, S. J.; Gudem, M; Panigrahi, N.; Singh, K.; Hazra, A.; Talukdar, P. "Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines." Org. Biomol. Chem., 2017, 15, 4822-4830.
Mondal, S. I.; Sen, S.; Hazra, A.; Patwari, G. N. "π-Stacked Dimers of Fluorophenylacetylenes: Role of Dipole Moment." J. Phys. Chem. A, 2017, 121, 3383-3391.
Datar, A.; Hazra, A. "Pathways for Excited-State Nonradiative Decay of 5,6-Dihydroxyindole, a Building Block of Eumelanin." J. Phys. Chem. A, 2017, 121, 2790-2797.
Manae, M. A.; Hazra, A. "Helping Students Understand the Role of Symmetry in Chemistry Using the Particle-in-a-Box Model." J. Chem. Educ., 2016, 93, 1056-1060.
Deo, A.; Hazra, A. Review of the book “Life and work of visionary chemists” by Gopalpur Nagendrappa. Curr. Sci., 2015, 108, 441.
Kumar, P. S.; Mukherjee, A.; Hazra, A. "Theoretical Study of Structural Changes in DNA under High External Hydrostatic Pressure." J. Phys. Chem. B, 2015, 119, 3348-3355.
Joshi, S.; Shukla, A.; Katiyar, H.; Hazra, A.; Mahesh, T. S, "Estimating Franck-Condon factors using an NMR quantum processor." Phys. Rev. A, 2014, 90, 022303.
Malwal, S. R.; Gudem, M.; Hazra, A.; Chakrapani, H. "Benzosultines as Sulfur Dioxide (SO2 ) Donors." Org. Lett., 2013, 15, 1116-1119.
Soudackov, A. V.; Hazra, A.;Hammes-Schiffer, S. "Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: Sequential, concerted, and complex branching mechanisms." J. Chem. Phys. 2011, 135, 144115.
Gunaratne, K. D. D.; Hazra, A.; Castleman, A. W. "Photoelectron imaging spectroscopy and theoretical investigation of ZrSi." J. Chem. Phys. 2011, 134, 204303.
Hazra, A.; Soudackov, A. V.; Hammes-Schiffer, S. "Isotope effects on the nonequilibrium dynamics of ultrafast photoinduced proton-coupled electron transfer reactions in solution." J. Phys. Chem. Lett. 2011, 2, 36-40.
Hazra, A.; Soudackov, A. V.; Hammes-Schiffer, S. "Role of solvent dynamics in photoinduced nonequilibrium proton-coupled electron transfer reactions in solution." J. Phys. Chem. B 2010, 114, 12319-12332.
Hazra, A.; Skone, J. H.; Hammes-Schiffer, S. "Combining the nuclear-electronic orbital approach with vibronic coupling theory: Calculation of the tunneling splitting for malonaldehyde." J. Chem. Phys. 2009, 130, 054108.
Anirban Hazra, "The Story of Chemistry", a book on the history of chemistry (design and illustrations by Madhuvanti Anantharajan), Vigyan Prasar Publications, Noida, India (2007).
Anirban Hazra, "Electronic absorption spectra from first principles", Ph.D Thesis, Princeton University (2005).
Hazra, A.; Nooijen, M. "Vibronic coupling in the excited cationic states of ethylene: Simulation of the photoelectron spectrum between 12 and 18 eV." J. Chem. Phys. 2005, 122, 204327.
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." Phys. Chem. Chem. Phys. 2005, 7, 1759 – 1771.
Hazra, A.; Chang, H. H.; Nooijen, M. "First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approach." J. Chem. Phys. 2004, 121, 2125 – 2136.
Hazra, A.; Nooijen, M. "Derivation and efficient implementation of a recursion formula to calculate harmonic Franck-Condon factors for polyatomic molecules." Int. J. Quant. Chem. 2003, 95, 643 – 657.
Nooijen, M.; Wladyslawski, M.; Hazra, A. "Cumulant approach to the direct calculation of reduced density matrices: A critical analysis." J. Chem. Phys. 2003, 118, 4832 – 4848.
Hazra, A.; Pal, S. "Weak interaction between HCHY (Y=O,S) and LiCl: A theoretical study." J. Mol. Struct. (Theochem), 2000, 497, 157 – 163.