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Electronic, Vibrational, and Structural Properties of a Spin-Crossover Catecholato-Iron System in the Solid State: Theoretical Study of the Electronic Nature of the Doublet and Sextet States
Electronic, Vibrational, and Structural Properties of a Spin-Crossover Catecholato-Iron System in the Solid State: Theoretical Study of the Electronic Nature of the Doublet and Sextet States
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Electronic, Vibrational, and Structural Properties of a Spin-Crossover Catecholato-Iron System in the Solid State: Theoretical Study of the Electronic Nature of the Doublet and Sextet States

Simaan, A. Jalila ; Boillot, Marie-Laure ; Carrasco, Rosa ; Cano, Joan ; Girerd, Jean-Jacques ; Mattioli, Tony A. ; Ensling, Jürgen ; Spiering, Hartmut ; Gütlich, Philipp

Chemistry : a European journal, 2005-03, Vol.11 (6), p.1779-1793 [Periódico revisado por pares]

Weinheim: WILEY-VCH Verlag

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Encouraging Chromium(III) Ions to Form Larger Clusters: Syntheses, Structures, Magnetic Properties and Theoretical Studies of Di- and Octametallic Cr Clusters
Encouraging Chromium(III) Ions to Form Larger Clusters: Syntheses, Structures, Magnetic Properties and Theoretical Studies of Di- and Octametallic Cr Clusters
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Encouraging Chromium(III) Ions to Form Larger Clusters: Syntheses, Structures, Magnetic Properties and Theoretical Studies of Di- and Octametallic Cr Clusters

Talbot-Eeckelaers, Caytie E. ; Rajaraman, Gopalan ; Cano, Joan ; Aromí, Guillem ; Ruiz, Eliseo ; Brechin, Euan K.

European Journal of Inorganic Chemistry, 2006-09, Vol.2006 (17), p.3382-3392 [Periódico revisado por pares]

Weinheim: WILEY-VCH Verlag

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3
Odorant-Binding and Chemosensory Proteins in Anthonomus eugenii (Coleoptera: Curculionidae) and Their Tissue Expression
Odorant-Binding and Chemosensory Proteins in Anthonomus eugenii (Coleoptera: Curculionidae) and Their Tissue Expression
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Odorant-Binding and Chemosensory Proteins in Anthonomus eugenii (Coleoptera: Curculionidae) and Their Tissue Expression

Lechuga-Paredes, Pablo ; Segura-León, Obdulia Lourdes ; Cibrián-Tovar, Juan ; Torres-Huerta, Brenda ; Velázquez-González, Julio César ; Cruz-Jaramillo, José Luis

International journal of molecular sciences, 2023-02, Vol.24 (4), p.3406 [Periódico revisado por pares]

Switzerland: MDPI AG

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Application of Free-Wilson matrices to the analysis of the tautomerism and aromaticity of azapentalenes: a DFT study
Application of Free-Wilson matrices to the analysis of the tautomerism and aromaticity of azapentalenes: a DFT study
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Application of Free-Wilson matrices to the analysis of the tautomerism and aromaticity of azapentalenes: a DFT study

Alkorta, Ibon ; Blanco, Fernando ; Elguero, José

Tetrahedron, 2008-04, Vol.64 (17), p.3826-3836 [Periódico revisado por pares]

Elsevier Ltd

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5
Magnetic topological quantum chemistry
Magnetic topological quantum chemistry
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Magnetic topological quantum chemistry

Elcoro, Luis ; Wieder, Benjamin J. ; Song, Zhida ; Xu, Yuanfeng ; Bradlyn, Barry ; Bernevig, B. Andrei

Nature communications, 2021-10, Vol.12 (1), p.5965-5965, Article 5965 [Periódico revisado por pares]

London: Nature Publishing Group

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6
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
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Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

Joung, In Suk ; Cheatham, Thomas E

The journal of physical chemistry. B, 2008-07, Vol.112 (30), p.9020-9041 [Periódico revisado por pares]

United States: American Chemical Society

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7
All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package
All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package
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All-electron APW+lo calculation of magnetic molecules with the SIRIUS domain-specific package

Zhang, Long ; Kozhevnikov, Anton ; Schulthess, Thomas ; Trickey, S. B. ; Cheng, Hai-Ping

The Journal of chemical physics, 2023-06, Vol.158 (23) [Periódico revisado por pares]

United States: American Institute of Physics

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8
Alumina catalyst with high density of medium acid sites for N-arylpyrrolidines synthesis
Alumina catalyst with high density of medium acid sites for N-arylpyrrolidines synthesis
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Alumina catalyst with high density of medium acid sites for N-arylpyrrolidines synthesis

Chen, Yingkang ; Zhang, Hang ; Li, Hongmei ; Hu, Junhua ; Long, Yan ; Liu, Min

Applied catalysis. A, General, 2022-06, Vol.640, p.118668, Article 118668 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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9
Grinding media wear induced agglomeration of electrosteric stabilized particles
Grinding media wear induced agglomeration of electrosteric stabilized particles
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Grinding media wear induced agglomeration of electrosteric stabilized particles

Flach, F. ; Breitung-Faes, S. ; Kwade, A.

Colloids and surfaces. A, Physicochemical and engineering aspects, 2017-06, Vol.522, p.140-151 [Periódico revisado por pares]

Elsevier B.V

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10
Efficient Aerobic Oxidation of 5-Hydroxymethylfurfural to 2,5-Diformylfuran, and Synthesis of a Fluorescent Material
Efficient Aerobic Oxidation of 5-Hydroxymethylfurfural to 2,5-Diformylfuran, and Synthesis of a Fluorescent Material
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Efficient Aerobic Oxidation of 5-Hydroxymethylfurfural to 2,5-Diformylfuran, and Synthesis of a Fluorescent Material

Ma, Jiping ; Du, Zhongtian ; Xu, Jie ; Chu, Qinghui ; Pang, Yi

ChemSusChem, 2011-01, Vol.4 (1), p.51-54 [Periódico revisado por pares]

Weinheim: WILEY-VCH Verlag

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