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

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, 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

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

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

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

Density functional theory studies on the reagent Ph3PBr2

Ab initio studies on the reagent Ph3PCl2

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

On the electronic excited states of sulfur dioxide

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