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Research Article | Open Access

Experimental and Theoretical Studies on the Molecular Structure, FT-IR, NMR, HOMO, LUMO, MESP, and Reactivity Descriptors of (E)-1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Rahul Ashok Shinde1,2, Vishnu Ashok Adole2*, Bapu Sonu Jagdale1,2 and Thansing Bhavsing Pawar1

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DOI: http://dx.doi.org/10.13005/msri.17.special-issue1.07
Research Article | Open Access

Computational Insights on Molecular Structure, Electronic Properties, and Chemical Reactivity of (E)-3-(4-Chlorophenyl)-1-(2-Hydroxyphenyl)Prop-2-en-1-one

Vishnu A. Adole1, Prashant B. Koli2*, Rahul A. Shinde1 and Rohit S. Shinde1

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DOI: http://dx.doi.org/10.13005/msri.17.special-issue1.06
Research Article | Open Access

Molecular Structure, Electronic, Chemical and Spectroscopic (UV-Visible and IR) Studies of 5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole: Combined DFT and Experimental Exploration

Sandip S. Pathade1, Vishnu A. Adole2, Bapu S. Jagdale2, Thansing B. Pawar3*

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DOI: http://dx.doi.org/10.13005/msri.17.special-issue1.05
Research Article | Open Access

Molecular Structure, Frontier Molecular Orbitals, MESP and UV–Visible Spectroscopy Studies of Ethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate: A Theoretical and Experimental Appraisal

Vishnu Ashok Adole1, Bapu Sonu Jagdale1*, Thansing Bhavsing Pawar2, Bhatu Shivaji Desale1

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DOI: http://dx.doi.org/10.13005/msri.17.special-issue1.04
Research Article | Open Access

Structural, Vibrational, and Electronic Properties of Trigonal Cu2SrSnS4 Photovoltaic Absorber from First-Principles Calculations

Sriram Poyyapakkam Ramkumar*
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DOI: http://dx.doi.org/10.13005/msri.17.special-issue1.03
Brief communication | Open Access

Evolution of Martensitic Nanostructure in NiAl Alloys: Tip Splitting and Bending

Arunabha M. Roy*
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DOI: http://dx.doi.org/10.13005/msri.17.special-issue1.02
Editorial | Open Access

Computational Methods in Material Science-Editorial

Sami H. Mahmood*
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DOI: http://dx.doi.org/10.13005/msri.17.special-issue1.01
Research Article | Open Access

Sol-Gel Fabricated Transition Metal Cr3+, Co2+ Doped Lanthanum Ferric Oxide (LFO-LaFeO3) Thin Film Sensors for the Detection of Toxic, Flammable Gases: A Comparative Study

Prashant Bhimrao Koli1*, Kailas Haribhau Kapadnis2, Uday Gangadhar Deshpande3, Balaji pandurang More1 and Umesh Jagannath Tupe4

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DOI: http://dx.doi.org/10.13005/msri/170110
Research Article | Open Access

Tunnelling Current Measurements Using Current Sensing Atomic Force Microscope

Arup Sarkar1* and K. A. Suresh2

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DOI: http://dx.doi.org/10.13005/msri/170109
Research Article | Open Access

Hepatorenal Effects of Silver Nanoparticles in In-Vivo Postnatal Model of Toxicity and in HepG2 Cell Line

Mahmoud M. Elalfy1*, Mamdouh Abouelmagd1, Eman A. Abdelraheem1 and Mona G. El-hadidy2

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DOI: http://dx.doi.org/10.13005/msri/170108
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Print: 0973-3469, Online: 2394-0565

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