FDUP - Publications with the same journal as the Theoretical characterization of the chemical bonds of some three-membered ring compounds through QTAIM theory publication

A brief review of the methods used to evaluate vapour pressures and sublimation enthalpies

Ana R R P Almeida (Author) (Other); Manuel J S Monte (Author) (FCUP)

2013

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A brief review of the methods used to evaluate vapour pressures and sublimation enthalpies (vol 24, pg 1993, 2013)

Ana R R P Almeida (Author) (Other); Manuel J S Monte (Author) (FCUP)

2013

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Thermochemistry of 2-methylbenzoxazole and 2,5-dimethylbenzoxazole: an experimental and computational study

Ana L R Silva (Author) (Other); Alvaro Cimas (Author) (Other); Maria D M C R Ribeiro da Silva (Author) (FCUP)

2013

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Thermochemical study of the dicyanoimidazole isomers

Tania M T Carvalho (Author) (Other); Luisa M P F Amaral (Author) (FCUP); Maria D M C R Ribeiro da Silva (Author) (FCUP); Victor M F Morais (Author) (ICBAS)

2014

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Thermochemical study of the cyanophenol isomers

Matos, MAR (Author) (FCUP); Miranda, MS (Author) (Other); Morais, VMF (Author) (ICBAS)

2004

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Thermochemical studies for determination of the molar enthalpy of formation of aniline derivatives

daSilva, MAVR (Author) (FCUP); daSilva, MDMCR (Author) (FCUP); Monteiro, MFBM (Author) (Other); Gomes, MLACN (Author) (Other); Chickos, JS (Author) (Other); Smith, AP (Author) (Other); Liebman, JF (Author) (Other)

1996

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Thermochemical and theoretical study of some methyldiazines

daSilva, MAVR (Author) (FCUP); Morais, VMF (Author) (ICBAS); Matos, MAR (Author) (FCUP); Rio, CMA (Author) (Other); Piedade, CMGS (Author) (Other)

1996

Scientific classification Indexing

Theoretical characterization of molecular complexes formed between triplet vinyl nitrene and Lewis acids

Dario J R Duarte (Author) (Other); Margarida S Miranda (Author) (Other); Joaquim C G E Esteves da Silva (Author) (FCUP)

2015

Scientific classification Indexing

The structure and energetics of pyrrolidinones, tetrahydrofuranones, piperidinones, and tetrahydropyranones: a computational study

miranda, ms (Author) (FCUP); da silva, jcge (Author) (FCUP); hon, c (Author) (Other); mckerrall, sj (Author) (Other); liebman, jf (Author) (Other)

2013

Scientific classification Indexing

The influence of the hydroxy and methoxy functional groups on the energetic and structural properties of naphthaldehyde as evaluated by both experimental and computational methods

Luisa M P F Amaral (Author) (Other); Vera L S Freitas (Author) (FCUP); Joao F R Goncalves (Author) (Other); Mickael Barbosa (Author) (Other); James S Chickos (Author) (Other); Maria D M C R Ribeiro da Silva (Author) (FCUP)

2015

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Standard enthalpies of formation of 2,6-di-tert-butyl-4-methylphenol and 3,5-di-tert-butylphenol and their phenoxy radicals

da Silva, MAVR (Author) (FCUP); Matos, MAR (Author) (FCUP); Miranda, MS (Author) (FCUP); Sousa, MHFA (Author) (Other); dos Santos, RMB (Author) (Other); Bizarro, MM (Author) (Other); Simoes, JAM (Author) (Other)

2001

Scientific classification Indexing

Solution properties and solvatochromism of bis(N-2-pyridyl-salicylaldiminato)cobalt(II)

Kurzak, K (Author) (Other); Kuzniarska Biernacka, I (Author) (Other); Cristina Freire (Author) (FCUP)

2010

Scientific classification Indexing

Solution properties and solvatochromism of bis(N-2-pyridyl-salicylaldiminato)cobalt(II)

Krzysztof Kurzak (Author) (Other); Iwona Kuzniarska Biernacka (Author) (Other); Cristina Freire (Author) (FCUP)

2010

Scientific classification Indexing

Paradigms and paradoxes: the aromaticity of 6:6 fused carbocycles and heterocycles as an extension of a study of indane and indene derivatives

Margarida S Miranda (Author) (FCUP); Agostinha A R Matos (Author) (FCUP); Victor M F Morais (Author) (ICBAS); Joel F Liebman (Author) (Other)

2011

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Paradigms and paradoxes: en route to the understanding of the aromaticity of the "iso-species" isobenzofuran, anthranil, benzofurazan and 2,1,3-benzothiadiazole

Margarida S Miranda (Author) (FCUP); Agostinha A R Matos (Author) (FCUP); Victor M F Morais (Author) (ICBAS); Joel F Liebman (Author) (Other)

2012

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Improving computational modeling coupled with ion mobility-mass spectrometry data for efficient drug metabolite structural determination

Ivashchenko, DA (Author) (Other); Cerqueira, NMFSA (Author) (Other); Magalhaes, AL (Author) (FCUP)

2021

Indexing

Energetic study of bromobenzonitrile isomers: insights on the intermolecular interactions, aromaticity and electronegativity

Ines M Rocha (Author) (Other); Tiago L P Galvao (Author) (Other); Maria D M C R Ribeiro da Silva (Author) (FCUP); Manuel A V R Ribeiro da Silva (Author) (Other)

2013

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Dioxetanones' peroxide bond as a charge-shifted bond: implications in the chemiluminescence process

Luis Pinto da Silva (Author) (Other); Joaquim C G E Esteves da Silva (Author) (FCUP)

2014

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Dibenzofuran and methyldibenzofuran derivatives: assessment of thermochemical data

Vera L S Freitas (Author) (FCUP); Jose R B Gomes (Author) (Other); Maria D M C R Ribeiro da Silva (Author) (FCUP)

2013

Scientific classification Indexing

A theoretical study of the strong interactions between carbon dioxide and OH+ and NH2 (+) products resulting from protonation of 1,2-dioxirane-3-one and 1,2-oxaziridine-3-one, respectively

Duarte, DJR (Author) (Other); Miranda, MS (Author) (Other); Joaquim C G E Esteves da Silva (Author) (FCUP); Liebman, JF (Author) (Other)

2016

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Publications

Publications with the same journal as the Theoretical characterization of the chemical bonds of some three-membered ring compounds through QTAIM theory publication

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