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Material Type: Artigo
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How does the pH influences the Ru-NO coordination compounds?Renato Pereira Orenha Sérgio Emanuel GalembeckInternational Journal of Quantum Chemistry Hoboken v. 119, n. 20, art. e25999, 2019Hoboken 2019Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto (pcd 3014396 Estantes Deslizantes )(Acessar) |
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2 |
Material Type: Artigo
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Behavior of HF and (HF)2 inside a fullerene cage: An in silico study using different density functionalsPoddar, Arpita ; Ramachandran, C. N. ; Chattaraj, Pratim KumarInternational journal of quantum chemistry, 2023-04, Vol.123 (7), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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3 |
Material Type: Artigo
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Latin American contributions to quantum chemical topologyGarcía‐Revilla, Marco A. ; Cortés‐Guzmán, Fernando ; Rocha‐Rinza, Tomás ; Hernández‐Trujillo, JesúsInternational journal of quantum chemistry, 2019-01, Vol.119 (2), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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4 |
Material Type: Artigo
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Mechanistic insights on how hydroquinone disarms OH and OOH radicalsNakarada, Ðura ; Petković, MilenaInternational journal of quantum chemistry, 2018-02, Vol.118 (4), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
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5 |
Material Type: Artigo
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Biphenyl: A stress tensor and vector-based perspective explored within the quantum theory of atoms in moleculesJenkins, Samantha ; Maza, Julio R. ; Xu, Tianlv ; Jiajun, Dong ; Kirk, Steven R.International journal of quantum chemistry, 2015-12, Vol.115 (23), p.1678-1690 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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Revisiting the foundations of the quantum theory of atoms in molecules: Some open problemsShahbazian, ShantInternational journal of quantum chemistry, 2018-08, Vol.118 (16), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
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7 |
Material Type: Artigo
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Perturbed structures generated using coordinates derived from compliance constants in internal vibrations for QTAIM dual functional analysis: Intrinsic dynamic nature of interactionsNakanishi, Waro ; Hayashi, SatokoInternational journal of quantum chemistry, 2018-06, Vol.118 (11), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
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8 |
Material Type: Artigo
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Local physical quantities for spin based on the relativistic quantum field theory in molecular systemsFukuda, Masahiro ; Soga, Kota ; Senami, Masato ; Tachibana, AkitomoInternational journal of quantum chemistry, 2016-06, Vol.116 (12), p.920-931 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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9 |
Material Type: Artigo
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A theoretical study of the bonding capabilities of the zinc‐zinc double bondAyala, Regla ; Galindo, AgustínInternational journal of quantum chemistry, 2019-03, Vol.119 (5), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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10 |
Material Type: Artigo
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Tunneling and quantum localization in chaos‐driven symmetric triple well potential: An approach using quantum theory of motionKar, Susmita ; Chattaraj, Pratim KumarInternational journal of quantum chemistry, 2018-05, Vol.118 (10), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |