Associate Professor & Chairman
Dr. Md. Alauddin
Department of Theoretical and Computational Chemistry
Faculty of Science
Research profiles & links
| Degree Name | Group/Major Subject | Board/Institute | Country | Passing Year |
|---|---|---|---|---|
| Masters | Laser Spectroscopy | KyungHee University | South Korea | 2012 |
| Ph.D. | Laser Spectroscopy | KyungHee University | South Korea | 2012 |
| Bachelor | Chemistry | University of Dhaka | Bangladesh | 2005 |
| H.S.C | Science | Dhaka | Bangladesh | 2000 |
| S.S.C | Science | Dhaka | Bangladesh | 1998 |
| Title | Organization | Location | From Date | To Date |
|---|---|---|---|---|
| Postdoctoral Research Fellow | University of Dhaka | Dhaka | May 2015 | Dec 2015 |
| Postdoctoral Research Fellow | University of Saskatchewan | Saskatoon, Saskatchewan, Canada | May 2014 | Apr 2015 |
| Postdoctoral Research Scientist | Atomic Energy Center (CEA) | Saclay, Paris, France | Feb 2013 | Apr 2014 |
Research Interest
| Subject | Description | Research Interest (Goal, Target Indicator) |
|---|---|---|
| Laser Spectroscopy | Why does fruit ripen? Why does a drug target DNA? Why do we age? Answers to these questions require understanding processes at the molecular level, where non-covalent complexes play key roles in the chemistry and biological function of proteins and DNA. A non-covalent complex is a cluster of molecules that hold together through non-covalent bonds, e.g. hydrogen bonding. Many chemical reactions of ionic species occur in solution but understanding them in detail is complicated by the presence of solvent molecules and counter ions. Mass spectrometry offers an excellent opportunity to examine ionic reactions in a pristine gas phase environment where solvent molecules and counter ions are absent. We examine radical chemistry of non-covalent complexes to understand role of radical ions in damage and repair of DNA, and formation and intracluster chemistry of zwitterionic clusters of biomolecules. As a laser spectroscopist, I am studying biomolecules and their hydrated complexes by means of various laser spectroscopic techniques as well as quantum chemical calculations to clarify their structures and remarkable stability against photochemical damage. As we know that ultraviolet (UV) light can damage DNA and cause proteins in the body to break down into smaller, sometimes harmful pieces that may also damage DNA, increasing the risk of skin cancer and cataracts. Molecular level understanding of these biological processes by which this degradation occurs is an important step in developing protective mechanisms against photo degradation. Consequently, I am also studying photophysics and photochemistry of sensitizing molecules to improve the efficiency of solar photovoltaic cells using ultrafast spectroscopy. | |
| Computational chemistry | Computational Chemistry is a fast growing area of modern chemistry. It is capable of interfacing with the other teaching and research areas in chemistry, physics, biochemistry, pharmaceutical chemistry, material science etc. Currently I am doing research computationally to understand the structural, thermodynamical, spectroscopic, optical and electronic properties of DNA bases, biomolecules, interaction of biomolecules with metal. As well as I am looking the role of hydrogen bonding in biological function of proteins and DNA. |
Project/Research Supervision
| Level of Study | Title | Supervisor | Co-Supervisor(s) | Name of Student(s) | Area of Research | Current Completion |
|---|---|---|---|---|---|---|
| Masters | Computational research work | Dr. Md. Alauddin | Computational work on biomolecules |
Project/Research Work
| Subject | Project Name | Source of Fund | From Date | To Date | Collaboration |
|---|---|---|---|---|---|
| Computational Chemistry | A TD-DFT Study for the Excited State Calculations of Microhydration of N-Acetyl-Phenylalaninylamide (NAPA) | Centennial Research Grant, University of Dhaka | 01-07-2022 | 30-06-2023 | |
| Computational Chemistry | Effect of Microhydration on the Peptide Backbone of N-Acetyl-Phenylalaninylamide (NAPA) Using IR, Raman and Vibrational Chiroptical Spectrosocpies (VCD, ROA): A Computational Study | Centennial Research Grant, University of Dhaka | 01-07-2021 | 30-06-2022 |
Invited Talk
| SL | Invited Talk |
|---|---|
| No invited talk is found | |
| SL | Collaboration & Membership Name | Type | Membership Year | Expire Year |
|---|---|---|---|---|
| No Collaboration & Membership is found | ||||
| Journal Article | |
|---|---|
| 1 |
Nazmul Abedin Khan, Imteaz Ahmed, Khan Md Zubaed Hasan, Md Alauddin, Minyoung Yoon and Sung Hwa Jhung : Sulfonated polyaniline-loaded porous carbon: A metal-free catalyst for the oxidative denitrogenation of liquid fuel at ambient conditions,
Separation and Purification Technology (impact factor:9.1) , vol.413 Elsevier , pp.139636 , 2026
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| 2 |
Md. Alauddin, Mohammad Abdul Matin and Zubair Hasan : Theoretical insights into the structure, stability, and photophysical properties of aniline monohydrated dimer clusters (An2W1): a DFT and TD-DFT study,
Journal of the Iranian Chemical Society (impact factor:2.3) , vol.23 Springer Nature , 2026
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| 3 |
Mohammad A. Yousuf, Mehidi H. Khan, Md Mizanur Rahman Badal, Md Maniruzzman, Parbhej Ahamed and Md Alauddin : Exploring the interactional behavior of N-acetylcysteine in aqueous-dimethylsulfoxide solutions: A physicochemical and computational study,
Heliyon (impact factor:3.91) , vol.12 Elsevier , 2026
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| 4 |
Md. Alauddin, Shyamjit Paul, Md Abdus Samadd, A Z M Marufur Rahman Bhoiyan, Md Raihan Sarkar, Nahid Sharmin, Md. Abdurrahim and Md. Farid Ahmed : In Vitro Evaluation of Bilayer Tablets Comprising Immediate Release Canagliflozin and Sustained Release Vildagliptin,
The Dhaka University Journal of Science , vol.74 , no.01 Banglajol , pp.127-137 , 2026
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| 5 |
Mohammad A. Matin, Md. Alauddin, Tapas Debnath, Abu Asaduzzaman and Joonkyung Jang : Exploring the interaction of pristine and hybrid nanocages with 5-fluorouracil,
Diamond and Related Materials (impact factor:5.1) , vol.161 Elsevier , pp.113095 , 2025
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| 6 |
Md. Alauddin and Seung Min Park : Photodissociation and proton transfer dynamics in thymine cluster cations: A TOF mass spectrometry and ADMP simulation study,
Chemical Physics (impact factor:2.4) , vol.603 Elsevier , pp.112994 , 2025
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| 7 |
Md. Alauddin, Nasima Tabassum Barna, Md Masud Parvez, Gazi Jahirul Islam and Mohammad Abdul Matin : The temperature and solvent effect on the structural, thermodynamic and electronic properties of Auxin: A computational study,
Journal of Bangladesh Academy of Sciences , vol.48 , no.02 BanglaJOL , pp.193-206 , 2024
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| 8 |
Mohammad A. Matin, Md. Alauddin and Mazharul M. Islam : Investigation of transition metals (Ag, Au, Pd, Pt and Ru)-doped boron nitride nanocarrier for drug delivery process of favipiravir: An intuition from DFT,
Journal of Molecular Liquids (impact factor:6.0) , vol.407 Elsevier , pp.125244 , 2024
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| 9 |
Md. Alauddin, Md. Masud Parvez, Md. Byzed Hasan, Md Shahin Hossen, Md. Hafezur Rahaman and Md. Khorshed Alam : Oxidatively degradable polyester: synthesis, characterization and thermal analysis,
Journal of the Bangladesh Chemical Society , vol.35-36 , no.(1 & 2) BanglaJOL , pp.06-10 , 2024
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| 10 |
Mohammad Alauddin and Mazharul M. Islam : A computational characterization of N-heterocyclic carbenes for catalytic and nonlinear optical applications,
Zeitschrift für Naturforschung B (impact factor:1.5) , vol.79 , no.4 De Gruyter , pp.215--223 , 2024
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| 11 |
Dr. Md. Alauddin, Dr. Md. Masud Parvez and Dr. Mohammad Abdul Matin : A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics,
Computational Molecular Bioscience (impact factor:1.76) , vol.13 Scientific Research Publishing , pp.63-74 , 2023
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| 12 |
Md. Alauddin and Joya Datta Ripa : A TD-DFT Study for the Excited State Calculations of Microhydration of N-Acetyl-Phenylalaninylamide (NAPA),
Computational Chemistry (impact factor:0.31) , vol.11 , no.02 Scientific Research , pp.37-52 , 2023
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| 13 |
Md. Muzahedul I. Khan, Mohammad A. Yousuf, Parbhej Ahamed, Mohammad Alauddin and Nusrat T. Tonu : Electrochemical Detection of Dihydroxybenzene Isomers at a Pencil Graphite Based Electrode,
ACS OMEGA (impact factor:4.132) , vol.7 American Chemical Society , pp.29391-29405 , 2022
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| 14 |
Dr. Md. Alauddin and Joya Datta Ripa : Effect of Microhydration on the Peptide Backbone of N-Acetyl-Phenylalaninylamide (NAPA) Using IR, Raman and Vibrational Chiroptical Spectrosocpies (VCD, ROA): A Computational Study,
European Journal of Applied Sciences , vol.10 , no.4 Scholarpublishing (SSE-UK) , pp.617-638 , 2022
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| 15 |
Mohammad Alauddin, Madhusudan Roy, Jae Kyu Song and Seung Min Park : Rearrangement of aniline(H2O)n (n = 0–12) clusters upon photoionization and their excited state properties: Density functional theory and time-dependent density functional Q2 theory study,
BULLETIN OF THE KOREAN CHEMICAL SOCIETY (impact factor:1.241) , vol.43 , no.7 Wiley-VCH GmbH , pp.966-977 , 2022
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| 16 |
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:1.241) , vol.42 , no.2 Wiley-VCH , pp.188-192 , 2021
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| 17 |
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 Bangladesh Chemical Society , pp.55-59 , 2020
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| 18 |
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
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| 19 |
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
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| 20 |
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
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| 21 |
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
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| 22 |
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
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| 23 |
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
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| 24 |
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
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| 25 |
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
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| 26 |
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
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| 27 |
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
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| 28 |
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
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| 29 |
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
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| 30 |
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
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| 31 |
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
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| 32 |
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
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| 33 |
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
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| 34 |
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
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| 35 |
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
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| 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
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| 37 |
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
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| 38 |
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
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| 39 |
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
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| 40 |
Md. Alauddin : DFT and TDDFT studies of structural, thermodynamic, spectroscopic and electronic properties of capped phenylalanine,
Journal of Bangladesh Chemical Society , vol.33 , no.01 Bangladesh Chemical Society , pp.29-35 , 2021
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| 41 |
Md. Khorshed Alam, Md. Alauddin, Alamgir Kabir and Hedong Zhang : Effect of Nitrogen Incorporation and Ultraviolet Irradiation on Interactions of Perfluoropolyether with Carbon Surfaces using Quantum Chemical Study,
Journal of Bangladesh Chemical Society , vol.33 , no.01 Bangladesh Chemical Society , pp.14-21 , 2021
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| 42 |
Dr. Md. Alauddin : The Effect of Solvents and Temperature on the Structural, Thermodynamic and Electronic Properties of Capped Phenylalanine: A Computational Study,
Journal of Bangladesh Academy of Sciences , vol.45 , no.02 Bangladesh Academy of Sciences , pp.205-215 , 2021
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| 43 |
Dr. Md. Alauddin : The effect of temperature and solvents on the thermodynamical and electronic properties of N-acetyl-para-aminophenol (APAP): A computational study,
Dhaka University Journal of Science , vol.69 , no.03 Bangladesh Journals Online (BanglaJOL) , pp.125-132 , 2022
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| 44 |
Mohammad Abdul Matin, Md. Aftab Ali Shaikh, Md. Anwar Hossain, Md. Alauddin, Tapas Debnath and Mohammed Abdul Aziz : The Effects of Oxidation States and Spin States of Chromium Interaction with Sargassum Sp.: A Spectroscopic and Density Functional Theoretical Study,
Green and Sustainable Chemistry (impact factor:1.27) , vol.11 Scientific Research Publishing Inc. , pp.125-141 , 2021
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| 45 |
Md. Alauddin, Himadri Tanaya Das, Paritosh Barai, Swapnamoy Dutta, Nigamananda Das, Payaswini Das, Madhusudan Roy and Hasi Rani Barai : Polymer Composites with Quantum Dots as Potential Electrode Materials for Supercapacitors Application: A Review,
Polymers (impact factor:4.329) , vol.14 MDPI , pp.1053 , 2022
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| 46 |
Md. Khorshed Alam, Md. Alauddin, Rahima Nasrin, Md. Imran Hossain, Md. Saif Ishtiaque and M. A. Islam : SURFACE STRUCTURE AND REDUCTION PROCESSES OF Ti DOPED CeO2: A ULTRA ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS STUDY,
Barishal University Journal Part 1 , vol.5 , no.1&2 , pp.163-178 , 2018
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| Award Type | Title | Year | Country | Description |
|---|---|---|---|---|
| International | President Scholarship | 2008 | South Korea | It is a great honour for me |
| National | Scholarship in S.S.C | 1998 | Bangladesh | Talentful |
| National | Scholarship in 8th Class | 1993 | Bangladesh | Talentful |
Name & designation
Dr. Md. Alauddin
Associate Professor & Chairman
Department
Department of Theoretical and Computational Chemistry Faculty of Science
Email
alauddin1982@du.ac.bd
Phone
+880-01795115291