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DFT and CIS(D) theoretical study on the ground and excited states of pentanitrogen cation

International journal of quantum chemistry, 2020-12, Vol.120 (23), p.n/a

Mkadmh, Ahmed M.

2020

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Synthesis, physicochemical properties, theoretical and electrochemical studies of tetraglycidyl methylenedianiline

Journal of molecular structure, 2022-10, Vol.1265, p.133508, Article 133508

2022

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Synthesis, identification, density functional and Hirshfeld surface studies of 2,2′‐disulfanediylbis(tetrahydro‐4H‐cyclopenta[d][1,3,2]dioxaphosphole‐2‐sulfide)

Journal of computational chemistry, 2021-10, Vol.42 (26), p.1873-1884

2021

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Antibacterial activities of novel nicotinic acid hydrazides and their conversion into N-acetyl-1,3,4-oxadiazoles

Bioorganic & medicinal chemistry letters, 2014-12, Vol.24 (24), p.5796-5800

2014

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Synthesis, antibacterial and QSAR evaluation of 5-oxo and 5-thio derivatives of 1,4-disubstituted tetrazoles

Bioorganic & medicinal chemistry letters, 2015-09, Vol.25 (18), p.4024-4028

2015

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Synthesis, structural characterization, and computational study of (E)-N′-(3,4-dimethoxybenzylidene)furan-2-carbohydrazide

Arabian journal of chemistry, 2020-01, Vol.13 (1), p.3571-3584

2020

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Synthesis, structural characterization, and computational study of novel (E)-N′-(1-p-tolylethylidene)furan-2-carbohydrazide

Journal of molecular structure, 2013-11, Vol.1051, p.345-353

2013

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Highly functionalized epoxy macromolecule as an anti-corrosive material for carbon steel: Computational (DFT, MDS), surface (SEM-EDS) and electrochemical (OCP, PDP, EIS) studies

Journal of molecular liquids, 2020-03, Vol.302, p.112535, Article 112535

2020

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Syntheses, density functional and sparkle PM6 semi empirical theoretical studies of O,O′-dialkyl/alkylenedithiophosphate derivatives of tin(IV) phthalocyanine adducts

Journal of molecular structure, 2018-09, Vol.1167, p.294-304

2018

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Enhancement of molecular polarizabilities by the push-pull mechanism; a DFT study of substituted benzene, furan, thiophene and related molecules

Open Chemistry, 2006-12, Vol.4 (4), p.743-759

2006

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Synthesis, structural characterization, and computational study of novel (E)-Na2-(1-p-tolylethylidene)furan-2-carbohydrazide

Journal of molecular structure, 2013-11, Vol.1051, p.345-353

2013

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ChemInform Abstract: Antibacterial Activities of Novel Nicotinic Acid Hydrazides and Their Conversion into N-Acetyl-1,3,4-oxadiazoles

ChemInform, 2015-05, Vol.46 (18), p.no-no

2015

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Density functional theory studies on the reagent Ph3PBr2

Dalton transactions : an international journal of inorganic chemistry, 2005-05 (9), p.1675-1678

2005

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Theoretical Determination of Molecular Structures and Electrical Properties of Molecules

Mkadmh, Ahmed

2006

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Density functional and CIS(D) studies on the ground and excited electronic state properties of nitrogen dioxide

Journal of computational methods in sciences and engineering, 2006-01, Vol.6 (1-4), p.165-170

2006

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Atom additive model based on dipole field tensor to compute static average molecular dipole polarizabilities

Journal of molecular structure. Theochem, 2009-05, Vol.901 (1), p.9-17

2009

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Density functional studies on trialkyl phosphorus selenide dibromide complexes R3PSeBr2 (R=H, Me, Et, N(CH3)2, N(C2H5)2, Ph, and C6H11)

Journal of molecular structure. Theochem, 2008-01, Vol.848 (1-3), p.87-93

2008

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Density functional studies on trialkyl phosphorus selenide dibromide complexes R 3 PSeBr 2 ( R = H, Me, Et, N( CH 3) 2, N( C 2 H 5) 2, Ph, and C 6 H 11)

Journal of molecular structure. Theochem, 2008, Vol.848 (1), p.87-93

2008

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Ab initio studies on the reagent Ph 3PCl 2

Journal of molecular structure. Theochem, 2005, Vol.719 (1), p.85-88

2005

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Ab initio studies on the reagent Ph3PCl2

Journal of molecular structure. Theochem, 2005-04, Vol.719 (1-3), p.85-88

2005

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On the electronic excited states of sulfur dioxide

Journal of molecular structure. Theochem, 2005-03, Vol.717 (1), p.231-234

2005

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DFT and CIS(D) theoretical study on the ground and excited states of pentanitrogen cation

Synthesis, physicochemical properties, theoretical and electrochemical studies of tetraglycidyl methylenedianiline

Synthesis, identification, density functional and Hirshfeld surface studies of 2,2′‐disulfanediylbis(tetrahydro‐4H‐cyclopenta[d][1,3,2]dioxaphosphole‐2‐sulfide)

Antibacterial activities of novel nicotinic acid hydrazides and their conversion into N-acetyl-1,3,4-oxadiazoles

Synthesis, antibacterial and QSAR evaluation of 5-oxo and 5-thio derivatives of 1,4-disubstituted tetrazoles

Synthesis, structural characterization, and computational study of (E)-N′-(3,4-dimethoxybenzylidene)furan-2-carbohydrazide

Synthesis, structural characterization, and computational study of novel (E)-N′-(1-p-tolylethylidene)furan-2-carbohydrazide

Highly functionalized epoxy macromolecule as an anti-corrosive material for carbon steel: Computational (DFT, MDS), surface (SEM-EDS) and electrochemical (OCP, PDP, EIS) studies

Syntheses, density functional and sparkle PM6 semi empirical theoretical studies of O,O′-dialkyl/alkylenedithiophosphate derivatives of tin(IV) phthalocyanine adducts

Enhancement of molecular polarizabilities by the push-pull mechanism; a DFT study of substituted benzene, furan, thiophene and related molecules

Synthesis, structural characterization, and computational study of novel (E)-Na2-(1-p-tolylethylidene)furan-2-carbohydrazide

ChemInform Abstract: Antibacterial Activities of Novel Nicotinic Acid Hydrazides and Their Conversion into N-Acetyl-1,3,4-oxadiazoles

Density functional theory studies on the reagent Ph3PBr2

Theoretical Determination of Molecular Structures and Electrical Properties of Molecules

Density functional and CIS(D) studies on the ground and excited electronic state properties of nitrogen dioxide

Atom additive model based on dipole field tensor to compute static average molecular dipole polarizabilities

Density functional studies on trialkyl phosphorus selenide dibromide complexes R3PSeBr2 (R=H, Me, Et, N(CH3)2, N(C2H5)2, Ph, and C6H11)

Density functional studies on trialkyl phosphorus selenide dibromide complexes R 3 PSeBr 2 ( R = H, Me, Et, N( CH 3) 2, N( C 2 H 5) 2, Ph, and C 6 H 11)

Ab initio studies on the reagent Ph 3PCl 2

Ab initio studies on the reagent Ph3PCl2

On the electronic excited states of sulfur dioxide

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