Our Works

2025

• S. S. Rajput, S. Razdan*, B. Tejendra*, N. Chandravanshi, and M. M. Alam**, Designing Expanded and Contracted Porphyrin-Azulene based Photosensitizers for Photodynamic Therapy, Phys. Chem. Chem. Phys. 2025. DOI: 10.1039/D5CP00154D [*Equal contribution, **Corresponding authors]

• B. Tejendra, S. S. Rajput, N. Chandravanshi, and M. M. Alam*, Exploring the Role of Squaraine Infusion on Two-Photon Absorption Cross-Section of a few Functionalized BODIPY like Systems, Phys. Chem. Chem. Phys. 2025. DOI: 10.1039/D5CP01559F

• A. Choudhury, N Prasad*, B. Tejendra*, P. S. Lal, D. S. Hughes, N. R. Halcovitch, M. M. Alam**, V. Sesha**, M. Raghavender**, Stepwise Photoreactions and Photosalient Effects in Isostructural Donor–Acceptor Molecular Complexes with Tunable Optical Properties, J. Phys. Chem. Lett. 2025, DOI: 10.1021/acs.jpclett.5c01282 [*Equal contribution, **Corresponding authors]

• N. Chandravanshi, B. Tejendra*, S. Razdan*, S. S. Rajput, Avantika, and M. M. Alam**, Effect of iodine, and polar group substitutions at α, β, and meso-positions on some photophysical properties of BODIPY-based photosensitizers relevant to photodynamic therapy, J. Comp. Chem. 2025, DOI: 10.1002/jcc.70145 [*Equal contribution, **Corresponding author]

2024

• B. Tejendra, N. Chandravanshi, S. S. Rajput, and M. M. Alam*, Effect of Azulene Substitution on Some Photophysical Properties of Triphenyl and Tritolyl Corroles, ES Chem. Sustainability, 2024,  DOI:10.30919/escs1357

• B. Tejendra, S. S. Rajput, N. Chandravanshi, and M. M. Alam*, Effect of meso-pentafluorophenyl group on two-photon absorption in heterocorroles and heterocorrins, Phys. Chem. Chem. Phys. 2024, DOI: 10.1039/D4CP03450C

• B. Tejendra, S. S. Rajput, N. Chandravanshi, and M. M. Alam*, An inquisitive study on photophysical properties of few modified Indole derivatives, Mod. Phys. Lett. B, 2024, DOI:10.1142/S0217984925500836

• S. S. Rajput, N. Raghuvanshi, B. Tejendra, P. Yadav, and M. M. Alam*, "Why orientation of azulene affects two-photon activity in a porphyrinoid-azulene system?", Phys. Chem. Chem. Phys. DOI: https://doi.org/10.1039/D4CP00438H

• P. Hanczyc, S. R. Alfarano, S. Bolisetty, J. Zhou, M. Peydayesh, V. Lutz-Bueno, A. Diaz, S. G. Roy, M. T. P. Beerepoot, M. M.  Alam, L. Wang, N. Solin, I. Szymanska, R. Mezzenga, "Photonics of Hydrothermally Treated β-Lactoglobulin Amyloids", Small Science, DOI: https://doi.org/10.1002/smsc.202400054

2023

• S. Muthuramalingam, M. Velusamy, S. S. Rajput, M. M. Alam, R. Mayilmurugan, "Nickel(II) Complexes of Tripodal Ligands as Catalysts for Fixation of Atmospheric CO2 as Organic Carbonates", https://doi.org/10.1002/asia.202201204

• S. S. Rajput, R. Zaleśny, and M. M. Alam*, "Chromophore Planarity and Two-Photon Absorption: Bi- and Ter-Phenyl Systems as a Case Study" J. Phys. Chem. A 2023, 127, 38, 7928–7936

• B. Tejendra, S. S. Rajput, and M. M. Alam*, "A curious case of two-photon absorption in n-helicene and n-phenylene, n=6-10: Why n=7 is different?" Accepted 2023, ChemPhysChem (https://doi.org/10.1002/cphc.202300710)

• D. Kumar, B. Sahu, S. Dolui, S. S. Rajput, M. M. Alam, S. Banerjee "Multi-stimuli responsive boronic acid-containing polymers via recyclable nanoscale zerovalent iron (nZVI)-mediated photoRDRP in ionic liquid" E. Poly. J. 2023, 199, 112443

2022

• S. S. Rajput, and M. M. Alam*, "Designing a Propellane-Based Nonlinear Optically Active System Absorbing in Three Different Wavelength Regions", 2022, ChemPhysChem, (DOI: https://doi.org/10.1002/cphc.202200529)

• S. G. Neogi and M. M. Alam*, "Structure, carbonyl vibrational frequencies, and local energy decomposition of binding energy in formaldehyde clusters, (HCHO)n=1-10­ J. Phys. Chem. A, 2022 DOI: 10.1021/acs.jpca.1c08789

• M. Choluj, R. Behera, E. Petrusevich, W. Bartkowiak, M. M.Alam*, R. Zaleśny*, "Much of a Muchness: On the Origins of Two- and Three-Photon Absorption Activity of Dipolar Y-Shaped Chromophores", J. Phys. Chem. A, 2022, DOI: 10.1021/acs.jpca.1c10098

• M. Chołuj, M. M. Alam*, M. T. P. Beerepoot, S. Sitkiewicz, E. Matito, K. Ruud*, and R. Zaleśny*, "Choosing Bad Versus Worse: Predictions of Two-Photon Absorption Strengths Based on Popular Density Functional Approximations, J. Chem. Theory Comput. 2022, DOI: 10.1021/acs.jctc.1c01056

• P. Das, S. S. Rajput, M. Das, S. Laha, I. Choudhuri, N. Bhattacharyya, A. Das, B. C. Samanta, M. M. Alam*, T. Maity*, Easy, Selective and Colorimetric Detection of Zn(II), Cu(II), F- Via off-on Fluorescence Technique with a New Piperazine Based Schiff Base Ligand: Molecular Logic Gate Formation and Life Cell Images. J. Photochem. Photobiol. A: Chem.2022, 427, 113817, DOI: 10.1016/j.jphotochem.2022.113817

• D. Kumar, S. Dolui, S. A. Mohammad, M. M. Alam, S. Banerjee*, "Ultrafast and Green Ionic Liquid-Mediated Controlled Cationic Polymerization Towards Amphiphilic Diblock Copolymers" Poly. Chem. 2022, 13, 517, DOI: https://doi.org/10.1039/D1PY01286J

• Bartosz Krajewski, S. S. Rajput, Marta Chołuj, Elżbieta Wojaczyńska, Andrzej Miniewicz, M. M. Alam*, Robert Zaleśny*, First-order hyperpolarizabilities of propellanes: Elucidating structure-property relationships. Phys. Chem. Chem. Phys., 2022,24, 13534-13541(https://pubs.rsc.org/en/content/articlelanding/2022/cp/d2cp00381c/unauth)

2021

• S. Haldar and M. M. Alam*, Designing curcumin based non-linear optically active compounds  Mol. Phys. 2021, 119, e1876265, DOI: 10.1080/00268976.2021.1876265

• E. F. Petrusevich, B. Osmiałowski, R. Zaleśny*, and M. M. Alam*, Two-Photon Absorption Activity of BOPHY Derivatives: Insights from Theory J. Phys. Chem. A 2021, 125, 2581, DOI: 10.1021/acs.jpca.1c00756

• S. A. Mohammad, S. Dolui, D. Kumar, M. M. Alam, S. Banerjee*, "Anisotropic and Self-healing Copolymer with Multi-responsive Capability" Macromol. Rapid Commun. 2021, 42, 2100096, DOI: 10.1002/marc.202100096

• S. G. Stephen, A. S. John, M. M. Alam*, "Theoretical study of linear and non-linear optical activity in dithienylethene-based photo-switch and its derivatives" Chem. Phys. Lett. 2021, 780, 138892 DOI: 10.1016/j.cplett.2021.138892

• K. Nano, G. Zahariou, P.-C. Ioannou, M. M. Alam, D. A. Pantazis, C. P. Raptopoulou, V. Psycharis*, Y. Sanakis*, P. Kyritsis*, "Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh2}(N,N)(NO3)], (N,N) = phenanthroline, neocuproine, 2,2'-bipyridine" (Accepted) Polyhedron 2021, 207, 115374, DOI: https://doi.org/10.1016/j.poly.2021.115374

• S. A. Mohammad, D. Kumar, M. M. Alam, S. Banerjee*, "Ultrafast, Green and Recyclable PhotoRDRP Towards Multi-stimuli Responsive Amphiphilic Copolymers" Poly. Chem. 2021, 12, 4954, DOI: https://doi.org/10.1039/D1PY01014J

2020

• R. Zaleśny*, M. M. Alam, R. Pachter, P. N. Dey, K. A. Nguyen, C.-K. Lim, P. N. Prasad, and H. Ågren*, Computational design of photoactive organic molecules for infrared responsive 2D perovskites, J. Mater. Chem. C 2020, 8, 9867, DOI: https://doi.org/10.1039/D0TC01807D

• M. M. Alam*, M. T. P. Beerepoot, and K. Ruud*, A generalized few-state model for the first hyperpolarizability, J. Chem. Phys. 2020, 152, 244106, DOI: https://doi.org/10.1063/5.0010231

• M. M. Alam*, K. Ruud*, Two-Photon absorption in host-guest complexes, Mol. Phys. 2020, 118, e1777335 DOI: https://doi.org/10.1080/00268976.2020.1777335

• M. Chattopadhyaya, M. M. Alam*, Effect of relative position of donor and acceptor groups on linear and non-linear optical properties of quinoline system, Chem. Phys. Lett. 2020, 754, 137582, DOI: https://doi.org/10.1016/j.cplett.2020.137582

2019

• P. K. Samanta, M. M. Alam, R. Misra*, S. K. Pati*, Tuning of hyperpolarizability, one- and two-photon absorption of donor-acceptor and donor-acceptor-acceptor-type intramolecular charge Transfer-based sensor, Phys. Chem. Chem. Phys., 2019, 21, 17343, DOI: https://doi.org/10.1039/C9CP03772A

2018

• M.T. P. Beerepoot, M. M. Alam, J. Bednarska, W. Bartkowiak, K. Ruud, R. Zaleśny, Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths, J. Chem. Theory Comput., 2018, 14, 3677, DOI: https://doi.org/10.1021/acs.jctc.8b00245

• T. Maitra, M. M. Alam, S. Chakrabarti*, Intersystem crossing rate dependent dual emission and phosphorescence from cyclometalated platinum complexes: A second order cumulant expansion based approach, Phys. Chem. Chem. Phys., 2018, 20, 23244, DOI: https://doi.org/10.1039/C8CP03111H

2017

• M. M. Alam*, K. Deur, S. Knecht, E. Fromager, Combined extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states, J. Chem. Phys. 2017, 147, 204105, DOI: https://doi.org/10.1063/1.4999825

• M. M. Alam*, R. Misra, K. Ruud, Interplay of Twist Angle and Solvents With Two-Photon Optical Channel Interference in Aryl-Substituted BODIPY Dyes, Phys. Chem. Chem. Phys., 2017, 19, 29461, DOI: https://doi.org/10.1039/C7CP05679F

• M. M. Alam*, M. T. P. Beerepoot, K. Ruud Channel interference in multiphoton absorption, J. Chem. Phys. 2017, 146, 244116, DOI: https://doi.org/10.1063/1.4990438

2016

• M. M. Alam*, S. Knecht and E. Fromager, Ghost interaction correction in ensemble density functional theory for excited states with and without range-separation, Phys. Rev. A. 2016, 94, 012511, DOI: https://doi.org/10.1103/PhysRevA.94.012511

• M. M. Alam*, V. Kundi and P. P. Thankachan*, Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Möbius annulenes: a DFT study, Phys. Chem. Chem. Phys. 2016, 18, 21833, DOI: https://doi.org/10.1039/C6CP02732F

• M. Chattopadhyaya*, M. M. Alam*, A theoretical study of one- and two-photon activity of D-luciferin. Computation 2016, 4, 43, DOI: https://doi.org/10.3390/computation4040043

• M. M. Alam, F. Bolze, C. Daniel*, L. Flamigni, C. Gourlaouen, V. Heitz, J. Schmitt, A. Sour* and B. Ventura*, Photophysical and theoretical studies of one- and two-photon absorption π-extended diketopyrrolopyrrole-porphyrin arrays, Phys. Chem. Chem. Phys. 2016, 18, 21954, DOI: https://doi.org/10.1039/C6CP01844K

• M. M. Alam and C. Daniel*, One- and two-photon activity of diketopyrrolopyrrole-Zn-porphyrin conjugates investigated by means of linear and quadratic density functional response theory. Theo. Chem. Acc. 2016, 41, 135, DOI: https://doi.org/10.1007/s00214-015-1780-x

• B. Senjean, E. D. Hedegard, M. M. Alam, S. Knecht and E. Fromager*, Combining linear interpolation with extrapolation methods in range-separated ensemble density-functional theory. Mol. Phys. 2016, 114, 968, DOI: https://doi.org/10.1080/00268976.2015.1119902

2015

• M. Alam*, Donor’s Position Specific Channel Interference in Substituted Biphenyl Molecules. Phys. Chem. Chem. Phys.(Communication), 2015, 17, 17571, DOI: https://doi.org/10.1039/C5CP02492G

• V. Kundi, M. M. Alam* and P. P. Thankachan*, Triply twisted Möbius annulene: A new class of two-photon active material - A computational study, Phys. Chem. Chem. Phys. 2015, 17, 6827, DOI: https://doi.org/10.1039/C5CP00026B

2014

• M. M. Alam*, Donors Contribute More than Acceptors to increase the Two-Photon Activity - A Case study with Cyclopenta[b]naphthalene Based Molecules. Phys. Chem. Chem. Phys. 16, 2014, 26342, DOI: https://doi.org/10.1039/C4CP04082A

• M. M. Alam* and M. Chattopadhyaya, Solvent Dependent One-, Two- and Three-Photon Absorption Properties of PRODAN based Chemo-Sensors. J. Chem. Sci. 2014, 126, 1217, DOI: https://doi.org/10.1007/s12039-014-0647-3

• M. M. Alam, M. Chattopadhyaya, S. Chakrabarti* and A. Rizzo*, A. On the origin of abnormally high two-photon activity of squaraine dyes - A damped response theory study. Phys. Chem. Chem. Phys. 2014, 16, 8030, DOI: https://doi.org/10.1039/C3CP55485F

• M. M. Alam, M. Chattopadhyaya, S. Chakrabarti* and K. Ruud*, The Chemical Control of Channel Interference in Two-Photon Absorption Process Acc. Chem. Res. 2014, 47, 1604, https://doi.org/10.1021/ar500083f

• B. Bhattacharya, A. Layek, M. M. Alam, D. Maity, S. Chakrabarti, P. Ray and D. Ghoshal, Cd(II) based metal-organic framework behaving as Schottky barrier diode. Chem. Comm. 2014, 50, 7858, DOI: https://doi.org/10.1039/C4CC00827H

• M. Chattopadhyaya, S. Sen, M. M. Alam and S. Chakrabarti*, On site Coulomb repulsion dominates over the non-local Hartree-Fock exchange in determining the band gap of polymers.  J. Phys. Chem. Sol, 2014, 75, 212, DOI: https://doi.org/10.1016/j.jpcs.2013.09.018

• M. Chattopadhyaya, M. M. Alam, Debasis Sarkar and S. Chakrabarti, Electrically controlled eight-spin-qubit entangled-state generation in a molecular brake junction. ChemPhysChem, 2014, 15, 1747, DOI: https://doi.org/10.1002/cphc.201400029

2013

• M. M. Alam, M. Chattopadhyaya, S. Chakrabarti* and K. Ruud*, Role of Donor-Acceptor Orientation on Solvent-Dependent Three-Photon Activity in Through-Space Charge-Transfer Systems - Case Study of [2,2]-Paracyclophane Derivatives. Phys. Chem. Chem. Phys. 2013, 15, 17570, DOI: https://doi.org/10.1039/C3CP52696H

• M. Chattopadhyaya, N. A. Murugan, M. M. Alam and S. Chakrabarti*, Spatial spin-charge separation in neutral endohedral metallofullerene: A combined restricted open-shell MP2 and Car–Parrinello molecular dynamics study. Chem. Phys. Letts. 2013, 557, 71, DOI: https://doi.org/10.1016/j.cplett.2012.11.068

• M. Chattopadhyaya, M. M. Alam and S. Chakrabarti*, Chemical control of a molecular spin switch in presence of gate. RSC Adv. (Communication) 2013, 3, 19894, DOI: https://doi.org/10.1039/C3RA43902J

2012

• M. M. Alam, M. Chattopadhyaya and S. Chakrabarti, Solvent induced channel interference in the two-photon absorption process – a theoretical study with a generalized few-state-model in three dimensions. Phys. Chem. Chem. Phys. 2012, 14, 1156, DOI: https://doi.org/10.1039/C1CP22849H

• M. M. Alam, M. Chattopadhyaya, S. Chakrabarti and K. Ruud, High-Polarity Solvents Decreasing the Two-Photon Transition Probability of Through-Space Charge-Transfer Systems – A Surprising In Silico Observation. J. Phys. Chem. Lett. 2012, 3, 961, DOI: https://doi.org/10.1021/jz300198y

• M. M. Alam, M. Chattopadhyaya and S. Chakrabarti, Enhancement of Twist Angle Dependent Two-Photon Activity through the Proper Alignment of Ground to Excited State and Excited State Dipole Moment Vectors. J. Phys. Chem. A 2012, 116, 8067, DOI: https://doi.org/10.1021/jp304456w

• M. M. Alam, M. Chattopadhyaya and S. Chakrabarti, On the Origin of Large Two-Photon Activity of DANS Molecule. J. Phys. Chem. A 2012, 116, 11034, DOI: https://doi.org/10.1021/jp3090233

• M. M. Aam and E. Fromager, Metallophilic interactions in A-frame molecules [S(MPH3)2] (M = Cu, Ag, Au) from range separated density-functional perturbation theory. Chem. Phys. Letts. 2012, 554, 37, DOI: https://doi.org/10.1016/j.cplett.2012.10.019

• M. Chattopadhyaya, S. Sen, M. M. Alam and S. Chakrabarti, The role of relativity and dispersion controlled inter-chain interaction on the band gap of thiophene, selenophene, and tellurophene oligomers. J. Chem. Phys. 2012, 136, 094904, DOI: https://doi.org/10.1063/1.3689860

• M. Chattopadhyaya, M. M. Alam and S. Chakrabarti, On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field. Phys. Chem. Chem. Phys. (Comm). 2012, 14, 9439, DOI: https://doi.org/10.1039/C2CP24015G

• M. Chattopadhyaya, M. M. Alam, S. Sen and S. Chakrabarti, Electrostatic Spin Crossover and Concomitant Electrically Operated Spin Switch Action in a Ti-Based Endohedral Metallofullerene Polymer. Phys. Rev. Letts. 2012, 109, 257204, DOI: https://doi.org/10.1103/PhysRevLett.109.257204

2011

• M. M. Alam, M. Chattopadhyaya and S. Chakrabarti, A Critical Theoretical Study on the Two-Photon Absorption Properties of Some Selective triaryl borane-1-naphthylphenyl amine Based Charge Transfer Molecules. Phys. Chem. Chem. Phys. 2011, 13, 9285, DOI: https://doi.org/10.1039/C0CP02958K

• M. Chattopadhyaya, M. M. Alam and S. Chakrabarti, New Design Strategy for the Two-Photon Active Material Based on Push-Pull Substituted Bisanthene Molecule. J. Phys. Chem. A 2011, 115, 2607, DOI: https://doi.org/10.1021/jp111130a