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Hybrid discrete‐continuum solvation methods

Wiley interdisciplinary reviews. Computational molecular science, 2020-03, Vol.10 (2), p.e1440-n/a

2020

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New insights on reaction pathway selectivity promoted by crown ether phase-transfer catalysis: Model ab initio calculations of nucleophilic fluorination

Journal of molecular catalysis. A, Chemical, 2012-11, Vol.363-364, p.489-494

2012

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Dynamic/Thermochemical Balance Drives Unusual Alkyl/F Exchange Reactions in Siloxides and Analogs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-03, Vol.120 (10), p.1644-1651

2016

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The Cluster−Continuum Model for the Calculation of the Solvation Free Energy of Ionic Species

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-08, Vol.105 (30), p.7241-7247

2001

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Dynamic Effects Dictate the Mechanism and Selectivity of Dehydration-Rearrangement Reactions of Protonated Alcohols [Me2(R)CCH(OH2)Me]+ (R=Me, Et, iPr) in the Gas Phase

Chemistry : a European journal, 2014-10, Vol.20 (42), p.13742-13754

2014

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Revisiting the concept of the (a)synchronicity of diels-alder reactions based on the dynamics of quasiclassical trajectories

Journal of computational chemistry, 2016-03, Vol.37 (8), p.701-711

2016

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Gas-Phase Nucleophilic and Elimination Reactions in Simple Alkyl Nitrates

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-11, Vol.114 (44), p.11910-11919

2010

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Sequential Methyl-Fluorine Exchange Reactions of Siloxide Ions in the Gas Phase

Angewandte Chemie (International ed.), 2012-08, Vol.51 (34), p.8632-8635

International ed. in English, 2012

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Selectivity and Mechanisms Driven by Reaction Dynamics: The Case of the Gas-Phase OH– + CH3ONO2 Reaction

Journal of the American Chemical Society, 2012-11, Vol.134 (46), p.19004-19010

2012

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Gibbs energy of solvation of organic ions in aqueous and dimethyl sulfoxide solutions

Physical chemistry chemical physics : PCCP, 2002-01, Vol.4 (9), p.1622-1627

2002

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Blackbody Infrared Radiative Dissociation of Partially Solvated Mixed Ligand Ru(II) Complex Ions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-11, Vol.108 (45), p.9892-9900

2004

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Exploring the intrinsic polar [4 + 2+] cycloaddition reactivity of gaseous carbosulfonium and carboxonium ions

Journal of mass spectrometry., 2012-11, Vol.47 (11), p.1526-1535

2012

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New values for the absolute solvation free energy of univalent ions in aqueous solution

Chemical physics letters, 2000-12, Vol.332 (5), p.597-602

2000

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Spin‐Forbidden Branching in the Mechanism of the Intrinsic Haber–Weiss Reaction

ChemistryOpen (Weinheim), 2017-06, Vol.6 (3), p.360-363

2017

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An unprecedented gas-phase condensation reaction mediated by a bissilylated chloronium ion intermediate

New journal of chemistry, 2016, Vol.40 (1), p.54-57

2016

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Theoretical Calculation of pKa Using the Cluster−Continuum Model

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-08, Vol.106 (32), p.7434-7439

2002

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Gas-phase reactivity of sulfate esters and analogs: Why is the sulfur center unreactive?

International journal of mass spectrometry, 2013-11, Vol.354-355, p.326-332

2013

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Sequential Methyl-Fluorine Exchange Reactions of Siloxide Ions in the GasPhase

Angewandte Chemie International Edition, 2012-08, Vol.51 (34), p.8632-8635

International ed. in English, 2012

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The Gas-Phase Alcoholysis of Protonated Homoleptic Alkoxysilanes

European journal of mass spectrometry (Chichester, England), 2010-01, Vol.16 (3), p.379-388

2010

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Estudio comparativo de disociación de iones moleculares inducida por absorción secuencial de fotones infrarrojos

Revista de la Sociedad Científica del Paraguay, 2018-10, Vol.23 (1), p.35-56

2018

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Gas-phase electrophilic addition promoted by CH₃S⁺== CH₂ ions on aromatic systems

Journal of mass spectrometry, 2007-10, Vol.42 (10), p.1310-1318

2007

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O legado de Niels Bohr

Química nova, 2013, Vol.36 (7), p.931-932

Riveros, José M.

2013

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On the Calculation of the Absolute Solvation Free Energy of Ionic Species: Application of the Extrapolation Method to the Hydroxide Ion in Aqueous Solution

The journal of physical chemistry. B, 2000-06, Vol.104 (21), p.5155-5160

2000

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Gas-Phase Nucleophilic Reactivity of Alkoxysilanes

Journal of the Brazilian Chemical Society, 2013-02, Vol.24 (2), p.256-265

2013

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UMA VISÃO PESSOAL DO LEGADO DO PROFESSOR HANS STAMMREICH

Química nova, 2019-12

Riveros, José

2019

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Hybrid discrete‐continuum solvation methods

New insights on reaction pathway selectivity promoted by crown ether phase-transfer catalysis: Model ab initio calculations of nucleophilic fluorination

Dynamic/Thermochemical Balance Drives Unusual Alkyl/F Exchange Reactions in Siloxides and Analogs

The Cluster−Continuum Model for the Calculation of the Solvation Free Energy of Ionic Species

Dynamic Effects Dictate the Mechanism and Selectivity of Dehydration-Rearrangement Reactions of Protonated Alcohols [Me2(R)CCH(OH2)Me]+ (R=Me, Et, iPr) in the Gas Phase

Revisiting the concept of the (a)synchronicity of diels-alder reactions based on the dynamics of quasiclassical trajectories

Gas-Phase Nucleophilic and Elimination Reactions in Simple Alkyl Nitrates

Sequential Methyl-Fluorine Exchange Reactions of Siloxide Ions in the Gas Phase

Selectivity and Mechanisms Driven by Reaction Dynamics: The Case of the Gas-Phase OH– + CH3ONO2 Reaction

Gibbs energy of solvation of organic ions in aqueous and dimethyl sulfoxide solutions

Blackbody Infrared Radiative Dissociation of Partially Solvated Mixed Ligand Ru(II) Complex Ions

Exploring the intrinsic polar [4 + 2+] cycloaddition reactivity of gaseous carbosulfonium and carboxonium ions

New values for the absolute solvation free energy of univalent ions in aqueous solution

Spin‐Forbidden Branching in the Mechanism of the Intrinsic Haber–Weiss Reaction

An unprecedented gas-phase condensation reaction mediated by a bissilylated chloronium ion intermediate

Theoretical Calculation of pKa Using the Cluster−Continuum Model

Gas-phase reactivity of sulfate esters and analogs: Why is the sulfur center unreactive?

Sequential Methyl-Fluorine Exchange Reactions of Siloxide Ions in the GasPhase

The Gas-Phase Alcoholysis of Protonated Homoleptic Alkoxysilanes

Estudio comparativo de disociación de iones moleculares inducida por absorción secuencial de fotones infrarrojos

Gas-phase electrophilic addition promoted by CH₃S⁺== CH₂ ions on aromatic systems

O legado de Niels Bohr

On the Calculation of the Absolute Solvation Free Energy of Ionic Species: Application of the Extrapolation Method to the Hydroxide Ion in Aqueous Solution

Gas-Phase Nucleophilic Reactivity of Alkoxysilanes

UMA VISÃO PESSOAL DO LEGADO DO PROFESSOR HANS STAMMREICH

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