Table of Contents - Volume 17 Number specialissue2020

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

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

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

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

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

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

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 Thansing Bhavsing Pawar1

 
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DOI : http://dx.doi.org/10.13005/msri.17.special-issue1.07

ISSN

Print: 0973-3469, Online: 2394-0565


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