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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

Shahnawaz Sheikh2020-08-03T11:07:28+00:00July 30, 2020|Comments Off on 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

Introduction 3,4-dihydropyrimidin-2(1H)-ones (DHPMs) have developed as useful building blocks for designing new compounds with an expansive assortment of biological applications.1-3 They have gotten a lot of consideration because of the intriguing pharmacological properties related to [...]

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

Shahnawaz Sheikh2024-01-10T06:32:05+00:00July 30, 2020|Comments Off on Structural, Vibrational, and Electronic Properties of Trigonal Cu2SrSnS4 Photovoltaic Absorber from First-Principles Calculations

Short Communication Increasing energy demand moving into the terawatt scale and increasing environmental concerns due to non-renewable sources of energy has caused great concern to humanity. Given the abundance of solar energy available, harnessing it [...]

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

Shahnawaz Sheikh2023-08-08T04:27:18+00:00July 30, 2020|Comments Off on Evolution of Martensitic Nanostructure in NiAl Alloys: Tip Splitting and Bending

Short Communication Phase-field (PF) method is a powerful technique to simulate different types of PTs. One of the main applications of this method can be found in PT in solid phases such as martensitic PT.1-8 [...]

Computational Methods in Material Science-Editorial

Shahnawaz Sheikh2023-12-01T10:23:29+00:00July 30, 2020|Comments Off on Computational Methods in Material Science-Editorial

The current revolution in Materials Science leading to vast advances in pre-existing and emerging technologies had significantly impacted all aspects of our modern life. The continuous efforts in searching for new functional and smart materials [...]

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

Alsa Hasan2020-05-01T12:47:29+00:00April 30, 2020|Comments Off on 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

Introduction The material science now a days become the prime field of research due to excellent and promising application of the materials in the various field of science, engineering and technology. The use of material [...]

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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

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

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

Computational Methods in Material Science-Editorial

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