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Academic Journal

Studying the catecholamine effect on the electronic delocalization of the paramagnetic [Ru(NH3)4(catecholamine)]+ complex through 1H-NMR, theoretical calculations, and resonance Raman.

Authors : Alves, Jacqueline Q.¹ (AUTHOR); Formiga, André L. B.² (AUTHOR); Gonçalves, Rogéria R.¹ (AUTHOR)

Subjects: *RESONANCE Raman effect; *POLAR effects (Chemistry); *NATURAL orbitals

Source: Journal of Coordination Chemistry. Jan2020, Vol. 73 Issue 2, p191-205. 15p. 2 Color Photographs, 2 Illustrations, 4 Charts, 2 Graphs.

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Academic Journal

Electronic Delocalization in Two and Three Dimensions: Differential Aggregation in Indium 'Metalloid' Clusters.

Authors : Protchenko, Andrey V.¹; Urbano, Juan^1,2; Abdalla, Joseph A. B.¹

Subjects: *ELECTRON delocalization; *CLUSTERING of particles; *INDIUM

Source: Angewandte Chemie International Edition. 11/20/2017, Vol. 56 Issue 47, p15098-15102. 5p.

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Academic Journal

Electronic Delocalization in Two and Three Dimensions: Differential Aggregation in Indium 'Metalloid' Clusters.

Authors : Protchenko, Andrey V.¹; Urbano, Juan^1,2; Abdalla, Joseph A. B.¹

Subjects: *INDIUM; *SEMIMETALS; *METALLACYCLES

Source: Angewandte Chemie. 11/20/2017, Vol. 129 Issue 47, p15294-15298. 5p.

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Academic Journal

H2 Adsorbed Site-to-Site Electronic Delocalization within IRMOF-1: Understanding Non-Negligible Interactions at High Pressure.

Authors : Wu, Jian¹ ; Kucukkal, Mustafa U.¹ ; Clark, Aurora E.¹

Subjects: *HYDROGEN storage; *ELECTRON delocalization; *METAL-organic frameworks

Source: Materials (1996-1944). Jul2016, Vol. 9 Issue 7, p578. 12p. 3 Color Photographs, 1 Chart, 2 Graphs.

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Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character.

Authors : Feixas, Ferran¹; Matito, Eduard²; Duran, Miquel¹

Subjects: *AROMATICITY; *METAL clusters; *INORGANIC compounds

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Apr2011, Vol. 128 Issue 4-6, p419-431. 13p.

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Academic Journal

Enhanced nonlinear optical properties due to electronic delocalization in conjugated benzodifuran derivatives.

Authors : Migalska-Zalas, A.¹ ; EL Korchi, K.²; Chtouki, T.³

Subjects: *NONLINEAR optical materials; *DELOCALIZATION energy; *QUANTUM chemistry

Source: Optical & Quantum Electronics. Nov2018, Vol. 50 Issue 11, p1-1. 1p.

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Academic Journal

The Effect of the Linking Unit on the Electronic and Magnetic Interactions in Copper(II) Porphyrin Dimers Linked by Metal Ions.

Authors : Appleton, Jordan L.¹ (AUTHOR) ; Le Breton, Nolwenn¹ (AUTHOR); Choua, Sylvie¹ (AUTHOR)

Subjects: *METAL ions; *PLATINUM; *PORPHYRINS

Source: Inorganics. Feb2024, Vol. 12 Issue 2, p44. 13p.

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Academic Journal

A DFT study of the chemical bonding properties, aromaticity indexes and molecular docking study of some phenylureas herbicides.

Authors : LAIB, SOUHILA^1,2 ; BOUCHEKIOUA, SAAD^2,3; MENACER, RAFIK³

Subjects: *MOLECULAR structure; *CHEMICAL properties; *CHEMICAL bonds

Source: Journal of the Serbian Chemical Society. 2024, Vol. 89 Issue 9, p1165-1176. 12p.

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Academic Journal

Theoretical study on the structures and pharmacokinetic evaluation of verticillane-type diterpenes from soft coral Heteroxenia ghardaqensis.

Authors : Pang, Jiangmei¹ (AUTHOR) ; Yu, Qinzhe¹ (AUTHOR) ; Wei, Huining¹ (AUTHOR)

Subjects: *FRONTIER orbitals; *ALCYONACEA; *DENSITY functional theory

Source: BMC Chemistry. 5/14/2025, Vol. 19 Issue 1, p1-18. 18p.

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Academic Journal

Theoretical study on the structures and pharmacokinetic evaluation of verticillane-type diterpenes from soft coral Heteroxenia ghardaqensis.

Authors : Pang, Jiangmei¹ (AUTHOR) ; Yu, Qinzhe¹ (AUTHOR) ; Wei, Huining¹ (AUTHOR)

Subjects: *FRONTIER orbitals; *ALCYONACEA; *DENSITY functional theory

Source: BMC Chemistry. 5/11/2025, Vol. 19 Issue 1, p1-18. 18p.

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Studying the catecholamine effect on the electronic delocalization of the paramagnetic [Ru(NH3)4(catecholamine)]+ complex through 1H-NMR, theoretical calculations, and resonance Raman.

Electronic Delocalization in Two and Three Dimensions: Differential Aggregation in Indium 'Metalloid' Clusters.

Electronic Delocalization in Two and Three Dimensions: Differential Aggregation in Indium 'Metalloid' Clusters.

H2 Adsorbed Site-to-Site Electronic Delocalization within IRMOF-1: Understanding Non-Negligible Interactions at High Pressure.

Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character.

Enhanced nonlinear optical properties due to electronic delocalization in conjugated benzodifuran derivatives.

The Effect of the Linking Unit on the Electronic and Magnetic Interactions in Copper(II) Porphyrin Dimers Linked by Metal Ions.

A DFT study of the chemical bonding properties, aromaticity indexes and molecular docking study of some phenylureas herbicides.

Theoretical study on the structures and pharmacokinetic evaluation of verticillane-type diterpenes from soft coral Heteroxenia ghardaqensis.

Theoretical study on the structures and pharmacokinetic evaluation of verticillane-type diterpenes from soft coral Heteroxenia ghardaqensis.

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