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Refinado por: Nome da Publicação: Journal Of Molecular Structure remover assunto: Physical Sciences remover
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Experimental (FTIR, Raman, UV–visible and PL) and theoretical (DFT and TDDFT) studies on bis(8–hydroxyquinolinium) tetrachlorocobaltate(II) compound
Experimental (FTIR, Raman, UV–visible and PL) and theoretical (DFT and TDDFT) studies on bis(8–hydroxyquinolinium) tetrachlorocobaltate(II) compound
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Experimental (FTIR, Raman, UV–visible and PL) and theoretical (DFT and TDDFT) studies on bis(8–hydroxyquinolinium) tetrachlorocobaltate(II) compound

Chaouachi, Soumaya ; Elleuch, Slim ; Hamdi, Besma ; Zouari, Ridha

Journal of molecular structure, 2016-12, Vol.1125, p.149-161 [Periódico revisado por pares]

Elsevier B.V

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2
Experimental and theoretical studies of 2-Mercaptobenzothiazole with 2-Bromomethylmesitylene and 1,4-Bis(bromomethyl)durene
Experimental and theoretical studies of 2-Mercaptobenzothiazole with 2-Bromomethylmesitylene and 1,4-Bis(bromomethyl)durene
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Experimental and theoretical studies of 2-Mercaptobenzothiazole with 2-Bromomethylmesitylene and 1,4-Bis(bromomethyl)durene

Daisy, Caroline ; Asha, R. Nandini ; Kumar, G.S. Suresh ; Vadivel, E. ; Bhuvanesh, N. ; Nayagam, B. Ravindran Durai

Journal of molecular structure, 2020-12, Vol.1222, p.128894, Article 128894 [Periódico revisado por pares]

Elsevier B.V

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3
Diverse structural assemblies of a series of ninhydrin derivatives: Quantitative analyses from experimental and theoretical studies
Diverse structural assemblies of a series of ninhydrin derivatives: Quantitative analyses from experimental and theoretical studies
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Diverse structural assemblies of a series of ninhydrin derivatives: Quantitative analyses from experimental and theoretical studies

Saini, Yeshwinder ; Mahajan, Sheena ; Kapoor, Kamal K. ; Hundal, Geeta ; Seth, Saikat Kumar

Journal of molecular structure, 2021-01, Vol.1224, p.128920, Article 128920 [Periódico revisado por pares]

Elsevier B.V

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4
Insights into the structure-property relationship of pharmaceutical co-crystals: Charge density and quantum chemical approaches
Insights into the structure-property relationship of pharmaceutical co-crystals: Charge density and quantum chemical approaches
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Insights into the structure-property relationship of pharmaceutical co-crystals: Charge density and quantum chemical approaches

Mapp, Lucy K. ; Cadden, Joseph ; Klooster, Wim T. ; Aitipamula, Srinivasulu ; Coles, Simon J.

Journal of molecular structure, 2021-01, Vol.1224, p.129270, Article 129270 [Periódico revisado por pares]

Elsevier B.V

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5
Synthesis, growth, structural characterization, Hirshfeld analysis and nonlinear optical studies of a methyl substituted chalcone
Synthesis, growth, structural characterization, Hirshfeld analysis and nonlinear optical studies of a methyl substituted chalcone
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Synthesis, growth, structural characterization, Hirshfeld analysis and nonlinear optical studies of a methyl substituted chalcone

Prabhu, Shobha R. ; Jayarama, A. ; Chandrasekharan, K. ; Upadhyaya, V. ; Ng, Seik Weng

Journal of molecular structure, 2017-05, Vol.1136, p.244-252 [Periódico revisado por pares]

Elsevier B.V

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6
On the importance of unconventional Cu⋯π interaction in tetrachloro-bis(1,10-phenanthroline)-dicopper(II) complex: Insights from experiment and theory
On the importance of unconventional Cu⋯π interaction in tetrachloro-bis(1,10-phenanthroline)-dicopper(II) complex: Insights from experiment and theory
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On the importance of unconventional Cu⋯π interaction in tetrachloro-bis(1,10-phenanthroline)-dicopper(II) complex: Insights from experiment and theory

Dey, Pratik ; Hossain, Anowar ; Seth, Saikat Kumar

Journal of molecular structure, 2024-01, Vol.1295, p.136642, Article 136642 [Periódico revisado por pares]

Elsevier B.V

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7
Structural and computational insights into two trimethylenedipyridine co-crystals: Inputs from X-ray diffraction, Hirshfeld surface, PIXEL, QTAIM and NCI plots
Structural and computational insights into two trimethylenedipyridine co-crystals: Inputs from X-ray diffraction, Hirshfeld surface, PIXEL, QTAIM and NCI plots
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Structural and computational insights into two trimethylenedipyridine co-crystals: Inputs from X-ray diffraction, Hirshfeld surface, PIXEL, QTAIM and NCI plots

Dey, Pratik ; Islam, Samiul ; Das, Prantika ; Seth, Saikat Kumar

Journal of molecular structure, 2024-01, Vol.1296, p.136820, Article 136820 [Periódico revisado por pares]

Elsevier B.V

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8
Synthesis, structure, NBO, Hirshfeld surface, NMR, HOMO-LUMO, UV, photoluminescence, z scan, vibrational and thermal analysis of piperazinedi-ium tetrakis (μ2‑chloro)-diaqua-dichloro-di-cadmium single crystal
Synthesis, structure, NBO, Hirshfeld surface, NMR, HOMO-LUMO, UV, photoluminescence, z scan, vibrational and thermal analysis of piperazinedi-ium tetrakis (μ2‑chloro)-diaqua-dichloro-di-cadmium single crystal
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Synthesis, structure, NBO, Hirshfeld surface, NMR, HOMO-LUMO, UV, photoluminescence, z scan, vibrational and thermal analysis of piperazinedi-ium tetrakis (μ2‑chloro)-diaqua-dichloro-di-cadmium single crystal

John, Nimmy L. ; Abraham, Sunila ; George, Jesby ; Karuppasamy, P. ; Senthilpandian, M. ; Ramasamy, P. ; Vinitha, G.

Journal of molecular structure, 2022-06, Vol.1258, p.132685, Article 132685 [Periódico revisado por pares]

Elsevier B.V

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9
Structural characterization and computational investigations of three fluorine-containing ligands with a terphenyl core
Structural characterization and computational investigations of three fluorine-containing ligands with a terphenyl core
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Structural characterization and computational investigations of three fluorine-containing ligands with a terphenyl core

Dascalu, Ioan-Andrei ; Isac, Dragos-Lucian ; Shova, Sergiu ; Balan-Porcarasu, Mihaela ; Marangoci, Narcisa-Laura ; Pinteala, Mariana ; Janiak, Christoph

Journal of molecular structure, 2022-10, Vol.1266, p.133474, Article 133474 [Periódico revisado por pares]

Elsevier B.V

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10
Experimental study and DFT calculation for the strength of intermolecular interactions in Schiff base with the phenylarsonic acid scaffold
Experimental study and DFT calculation for the strength of intermolecular interactions in Schiff base with the phenylarsonic acid scaffold
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Experimental study and DFT calculation for the strength of intermolecular interactions in Schiff base with the phenylarsonic acid scaffold

Venkatesan, Perumal ; Cerón, Margarita ; Ceballos, Paulina ; Pérez-Gutiérrez, Enrique ; Thamotharan, Subbiah ; Percino, M. Judith

Journal of molecular structure, 2019-11, Vol.1196, p.306-322 [Periódico revisado por pares]

Elsevier B.V

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