Research & Publication (Department of Theoretical and Computational Chemistry)
Journal Article (45)
1 Dr. Md. Alauddin, Madhusudan Roy, Sang Hwan Nam, Jae Kye Song and Seung Min Park : Structure of Mono-Hydrated Aniline Dimer Cation, Bulletin of the Korean Chemical Society (impact factor:0.611) , vol.42 , no.2 , pp.188-192 , 2021 .
2 Dr. Md. Alauddin, Dr. Md. Masud Parvez, Dr. Md. Khorshed Alam and Dr. Mohammad A. Matin : Infrared photodissociation spectroscopy of isolated adenine-thymine base pair, Journal of the Bangladesh Chemical Society , vol.32 , no.1 & 2 , pp.Accepted , 2020 .
3 Syed Rashel Kabir, AKM Asaduzzaman, Ruhul Amin, ASM Tanbirul Haque, Rita Ghose, Md. Musfikur Rahman, Jahanur Islam, Md. Boni Amin, Imtiaj Hasan, Tapas Debnath, Byung-Soo Chun, XuDong Zhao, M. Khalilur Rahman Khan and Mohammad Taufiq Alam : Zizyphus mauritiana Fruit Extract-Mediated Synthesized Silver/Silver Chloride Nanoparticles Retain Antimicrobial Activity and Induce Apoptosis in MCF‑7 Cells through the Fas Pathway, ACS Omega , vol.5 , no.32 , pp.20599-20608 , 2020 .
4 Mohammad A. Matin, Samiran Bhattacharjee, Md. Aftab Ali Shaikh, Tapas Debnath and Mohammed Abdul Aziz : A Density Functional Theory (DFT) Investigation on the Structure and Spectroscopic Behavior of 2-Aminoterephthalic Acid and Its Sodium Salts, Green and Sustainable Chemistry , vol.10 , pp.39-55 , 2020 .
5 Muhammad R. Islam, Jaed Ebna Obaid, Md. Saiduzzaman, Sadiq Shahriyar Nishat, T. Debnath and Alamgir Kabir : Effect of Al doping on the structural and optical properties of CuO nanoparticles prepared by solution combustion method: Experiment and DFT investigation, Journal of Physics and Chemistry of Solids , 2020 .
6 Md. Masud Parvez, Md. Alauddin and Shinichi Itsuno : Application of Main-Chain Chiral Polymeric Organocatalyst in Asymmetric Epoxidation of Trans-Chalcone, Barishal University Journal Part 1 , vol.6 , no.2 , pp.1-7 , 2019 .
7 Dr. Md. Alauddin, Dr. Mohammad Abdul Matin, Tapas Debnath, M. Saiful Islam and Mohammed A. Aziz : DFT and TD-DFT Study of [Tris(dithiolato)M]3- Complexes[M= Cr, Mn and Fe]: Electronic Structures, Properties and Analyses, The Dhaka University Journal of Science , vol.67 , no.1 , pp.63-68 , 2019 .
8 Mohammad A. Matin, Mohammad Alauddin, Tapas Debnath, M. Saiful Islam and Mohammed A. Aziz : DFT and TD-DFT Study of [Tris(dithiolato)M]3- Complexes[M= Cr, Mn and Fe]: Electronic Structures, Properties and Analyses, Dhaka Univ. J. Sci. , vol.67 , no.1 , pp.63-68 , 2019 .
9 Kabir M. Uddin, Ahmad I. Alrawashdeh, Tapas Debnath, Mohammed A. Aziz and Raymond A. Poirier : Synthesis, spectroscopic characterization, and theoretical studies on the substitution reaction of chromium(III) picolinate, J Mol Str. , vol.1189 , pp.28-39 , 2019 .
10 Mohammad Alauddin, Tapas Debnath and Mohammed A. Aziz : Structural and Electronic Properties of Adenine-Thymine Basepair : A Computational Study, Dhaka Univ. J. Sci. , vol.67 , no.1 , pp.51-54 , 2019 .
11 Dr. Md. Alauddin and Tapas Debnath and Mohammed A. Aziz : Structural and Electronic Properties of Adenine-Thymine Basepair : A Computational Study, Dhaka University Journal of Science , vol.67 , no.1 , pp.51-54 , 2019 .
12 Dr. Md. Alauddin and Madhusudan Roy Jae Kyu Song and Seung Min Park. : Structure of aniline (pyrrole)+, aniline (ethanol)+ and aniline(benzene)+, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (impact factor:2.931) , vol.204 , pp.665-669. , 2018 .
13 S. Begum, H. Yeasmin, T. Debnath, A. A. Shaikh and P. K. Bakshi : Synthesis and Characterization of Cu(II), Zn(II), Cd(II) and Hg(II) Complexes of Rabeprazole, Dhaka Univ. J. Sci. , vol.65 , no.2 , pp.157-162 , 2017 .
14 Linia Tashmim, Tapas Debnath, Altaf Hussain and Md. Mominul Islam : Supercapacitive behavior of bismuth vanadate modified graphite electrode, Journal of Bangladesh Chemical Society , vol.29 , 2017 .
15 Dr. Md. Alauddin and Dr. Mohammed Abdul Aziz : The Structural, spectroscopic, electronic and optical properties of thymine: A theoretical investigation, Barisal University Journal: Part 1 , vol.4 , no.1 , pp.47-57 , 2017 .
16 Dr. Md. Alauddin and Dr. Mohammed Abdul Aziz : Spectroscopic properties of Cytosine: A Computational Investigation, Barisal University Journal: Part 1 , vol.4 , no.2 , pp.226-234 , 2017 .
17 M A Hoque, T. Debnath, C H Rüscher and A. Hussain : Study of Antimony Doped Bismuth Aluminate, Bi2-xSbxAl4O9 (0.0≤X≤1.5), Journal of the Bangladesh Chemical Society , vol.27 , no.1 & 2 , pp.151-158 , 2016 .
18 Dr. Md. Alauddin and M. M. Islam, M. K. Hasan, T. Bredow and M. A. Aziz : A Theoretical Investigation of the Structural, Spectroscopic and Optical Properties of Adenine, Dhaka University Journal of Science , vol.64 , no.1 , pp.77-81 , 2016 .
19 Dr. Md. Alauddin and M. M. Islam and M. A. Aziz : Structural, Spectroscopic and Optical Properties of Monohydrated Adenine: A Theoretical Study, Dhaka University Journal of Science , vol.64 , no.2 , pp.157-161 , 2016 .
20 Dr. Md. Alauddin and Madhusudan Roy, Kuk Ki Kim, Sang Hwan Nam, Jae Kyu Song, and Seung Min Park : Charge resonance structure of aniline dimer cation, International Journal of Mass Spectrometry (impact factor:1.659) , vol.402 , pp.66-72 , 2016 .
21 L. Tashmim, T. Debnath, C. H. Rüscher and A. Hussain : Preparation and Characterization of Nanocrystalline Cerium (IV) Oxide and Doped Cerium (IV) Oxide, Ce1-x-yMgxZryO2-δ, J. Sci. Res. , vol.7 , no.1-2 , pp.55-63 , 2015 .
22 Dr. Md. Alauddin and Madhusudan Roy, Kuk Ki Kim, Jae Kyu Song, and Seung Min Park : Vibrational predissociation of aniline(pyrrole)(water)2+andaniline(pyrrole)(water)3+, International Journal of Mass Spectrometry (impact factor:1.639) , vol.379 , pp.151-156 , 2015 .
23 Dr. Md. Alauddin and Madhusudan Roy, Jae Kyu Song and Seung Min Park : Infrared photodissociation of adenine dimer(H2O)n+ (n=1-4) clusters, International Journal of Mass Spectrometry (impact factor:1.639) , vol.381 , pp.41-47 , 2015 .
24 Dr. Md. Alauddin and Himansu S. Biswal, Eric Gloaguen and Michel Mons : Intra-residue interactions in proteins: interplay between Serine and Cysteine side chains and backbone conformations, revealed by laser spectroscopy of isolated model peptides, Physical Chemistry Chemical Physics (impact factor:3.569) , vol.17 , no.3 , pp.2169-2178 , 2015 .
25 Dr. Md. Alauddin and Eric Gloaguen, Velerie Brenner, Benjamin Tardivel, Michel Mons, Anne Zehnacker-Rentien, Velerie Declerck and David J. Aitken : Intrinsic Folding Proclivities in Cyclic β‐Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer‐Selective Spectroscopy and Quantum Chemistry, Chemistry A European Journal (impact factor:5.16) , vol.21 , no.46 , pp.16479-16493 , 2015 .
26 T. Debnath, A. Ullah, C.H. Rüscher and A. Hussain : Chromium substitution in mullite type bismuth aluminate: Bi2CrxAl4-xO9 with 0 ˂ x ≤ 1.2, J. Solid State Chem. , vol.220 , pp.167 , 2014 .
27 Dr. Md. Alauddin and Yohan Loquais, Eric Gloaguen, Valérie Brenner, Benjamin Tardivel and Michel Mons : On the near UV photophysics of a phenylalanine residue: a conformation-dependent mechanism for the deactivation of the ππ* state as revealed by laser spectroscopy of isolated neutral dipeptides, Physical Chemistry Chemical Physics (impact factor:3.569) , vol.16 , no.40 , pp.22192-22200 , 2014 .
28 Dr. Md. Alauddin and Eric Gloaguen, Velerie Brenner, Benjamin Tardivel, Michel Mons, Anne Zehnacker-Rentien, Velerie Declerck, David J. Aitken : Direct Spctroscopic Evidences of hyperconjugation unveils the conformational landscape of hydrazides, Angewandte Chemie International Edition (impact factor:12.102) , vol.53 , no.50 , pp.13756-13759 , 2014 .
29 Dr. Md. Alauddin and Kuk Ki Kim, Madhusudan Roy, Jae Kyu Song, Myung Soo Kim, and Seung Min Park : Aggregation of laser-generated gold nanoparticles mediated by formalin, Bulletin of Korean Chemical Society (impact factor:0.611) , vol.34 , no.1 , pp.188-196 , 2013 .
30 M.M.R. Shakil, T. Debnath, C.H. Rüscher and A. Hussain : Study of tantalum substituted potassium tungsten bronzes, J. Bangladesh Chemical Soc. , vol.25 , no.1 , pp.38 , 2012 .
31 A.M. Abdullah, T. Debnath, C.H. Rüscher and A. Hussain : Synthesis and Characterization of Vanadium Substituted Potassium Tungsten Bronzes, KxVyW1-yO3, J. Sci. Res. , vol.4 , no.2 , pp.507 , 2012 .
32 Dr. Md. Alauddin and Jae Kyu Song, Seung Min Park : Infrared photodissociation of aniline(H2O)n+(n=7-12) clusters, International Journal of Mass Spectrometry (impact factor:1.639) , vol.314 , pp.49-56 , 2012 .
33 Dr. Md. Alauddin and Jae Kyu Song, Joong Chul Choe, Seung Min Park : Infrared predissociation of ternary cluster cations: the solvent effects on the branching ratio, Physical Chemistry Chemical Physics (impact factor:3.639) , vol.14 , no.11 , pp.3864-3871 , 2012 .
34 Th. M. Gesing, R. X. Fischer, M. Burianek, M. Muhrlberg, T. Debnath, C. H. Rüscher, J.-Chr. Buhl and H. Schneider : Synthesis and properties of Mullite-type (Bi1-xSrx)2(M11y M2y)4O9-x (M = Al, Ga, Fe), J. Eur. Cer. Soc. , pp.3055 , 2011 .
35 K.R. Dey, T. Debnath, C.H. Rüscher, M. Sundberg and A. Hussain : Crystals synthesis and characterization of niobium doped hexagonal tungsten bronze and bronzoid in the system, CsxNbyW1-yO3, J. Mater. Sci. , vol.46 , pp.1388- , 2011 .
36 Dr. Md. Alauddin and Jae Kyu Song and Seung Min Park : The kinetic energy release in the photodissociation of aniline (water)n+(n = 1–10) clusters at photon energies from 0.43 to 4.66 eV, Chemical Physics Letters (impact factor:1.901) , vol.506 , no.4-6 , pp.156-160 , 2011 .
37 T. Debnath, C.H. Rüscher, P. Fielitz, S. Ohmann and G. Borchardt : Series of compositions Bi2(M’xM1-x)4O9 (M’, M = Al, Ga, Fe; 0 ≤ x ≤ 1) with mullite-type crystal structure: Synthesis, characterization and 18O/16O exchange experiment, J. Solid State Chem. , vol.183 , pp.2582- , 2010 .
38 T. Debnath, C.H Rüscher, P. Fielitz, S. Ohmann and G. Borchardt : Oxygen diffusion in Bi2M4O9 (M = Al, Ga, Fe) systems and the effect of Sr doping Bi2-2xSr2xM4O9-x studied by isotope exchange and IR absorption, Advances in Solid Oxide Fuel Cells VI, Proceddings , vol.31 , pp.81- , 2010 .
39 T. Debnath and C.H. Rüscher : Crystal structure of bismuth gallium aluminium oxide, Bi2(GaxAl1-x)4O9, x = 0.4, 0.6, 0.8, Z. Krist. NCS , pp.224- , 2010 .
40 Dr. Md. Alauddin and Jin Jae Park, Doc Yong Gwak, Jae Kyu Song, and Seung Min Park : Laser ablation of a ZnO: P2O5 target under the presence of a transverse magnetic field, Bulletin of Korean Chemical Society (impact factor:0.611) , vol.31 , no.4 , pp.798-802 , 2010 .
41 Dr. Md. Alauddin and Jae Kyu Song and Seung Min Park : Effects of aluminum doping and substrate temperature on zinc oxide thin films grown by pulsed laser deposition, Applied Physics A (impact factor:1.604) , vol.101 , no.4 , pp.707-711 , 2010 .
42 Dr. Md. Alauddin and Jae Kyu Song and Seung Min Park : The branching ratio in the infrared predissociation of aniline–water–methanol+ ion, Chemical Physics Letters (impact factor:1.901) , vol.498 , no.1-3 , pp.14-17 , 2010 .
43 T. Debnath, S.C. Roy, C.H. Rüscher and A. Hussain : Synthesis and characterization of niobium doped potassium tetragonal tungsten bronzes, KxNbyW1-yO3, J. Mater. Sci. , pp.44- , 2009 .
44 T. Debnath, C.H. Rüscher, Th. M. Gesing, J. Koepke and A. Hussain : Solid-state synthesis in the system Na0.8NbyW1-yO3 with 0 ≤ y ≤ 0.4: A new phase, Na0.5NbO2.75, with perovskite-type structure, Journal of Solid State Chemistry , vol.181 , pp.783- , 2008 .
45 C.H. Rüscher, K.R. Dey, T. Debnath, I. Horn, R. Glaum and A. Hussain : Perovskite tungsten bronze-type crystals of LixWO3 grown by chemical vapor transport and their characterization, Journal of Solid State Chemistry , vol.181 , pp.90- , 2008 .
Conference Proceedings (1)
1 T. Debnath, C.H. Rüscher and A. Hussain "Optical properties of alkali metal tungsten bronzes." J. Asiat. Soc. Bangladesh, Sci. , pp. 157-. Dhaka: 2011 .