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Evaluation of ionic liquids as absorbents for ammonia absorption refrigeration cycles using COSMO-based process simulations

Applied energy, 2014-06, Vol.123, p.281-291

2014

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Introducing process simulation in ionic liquids design/selection for separation processes based on operational and economic criteria through the example of their regeneration

Separation and purification technology, 2012-09, Vol.97, p.195-204

2012

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Integration of COSMO-based methodologies into commercial process simulators: Separation and purification of reuterin

AIChE journal, 2012-11, Vol.58 (11), p.3404-3415

2012

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Enterprise Ionic Liquids Database (ILUAM) for Use in Aspen ONE Programs Suite with COSMO-Based Property Methods

Industrial & engineering chemistry research, 2018-01, Vol.57 (3), p.980-989

2018

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Aspen Plus supported conceptual design of the aromatic–aliphatic separation from low aromatic content naphtha using 4-methyl-N-butylpyridinium tetrafluoroborate ionic liquid

Fuel processing technology, 2016-06, Vol.146, p.29-38

2016

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Conceptual design of unit operations to separate aromatic hydrocarbons from naphtha using ionic liquids. COSMO-based process simulations with multi-component “real” mixture feed

Chemical engineering research & design, 2015-02, Vol.94, p.632-647

2015

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Molecular Structure of Chloro-dodecafluorosubphthalocyanato Boron(III) by Gas-Phase Electron Diffraction and Quantum Chemical Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-05, Vol.111 (20), p.4542-4550

2007

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Techno-economic feasibility of ionic liquids-based CO2 chemical capture processes

Chemical engineering journal (Lausanne, Switzerland : 1996), 2021-03, Vol.407, p.127196, Article 127196

2021

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Prediction of the solid-liquid equilibrium of ternary and quaternary salt-water systems. Influence of the e-NRTL interaction parameters

Fluid phase equilibria, 2023-09, Vol.572, p.113832, Article 113832

2023

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Estimation of e-NRTL binary interaction parameters and its impact on the prediction of thermodynamic properties of multicomponent electrolyte systems

Fluid phase equilibria, 2022-01, Vol.551, p.113264, Article 113264

2022

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Application of the e-NRTL model to electrolytes in mixed solvents methanol-, ethanol- water, and PEG-water

Fluid phase equilibria, 2022-09, Vol.560, p.113516, Article 113516

2022

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The axial coordination in subphthalocyanines.Geometrical and electronic aspects

Journal of porphyrins and phthalocyanines, 2001-06, Vol.5 (6), p.491-499

2001

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Aromaticity in tautomers of triazoleporphyrazine

Perkin 2 : an international journal of physical organic chemistry, 2002-01 (12), p.2104-2109

2002

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Molecular modeling of highly peripheral substituted Mg- and Zn-porphyrins

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (18), p.4147-4156

2000

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On the molecular electron structure of three phosphinine-containing macrocycles

Journal of computational chemistry, 2007-04, Vol.28 (5), p.958-966

2007

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A theoretical approach to the influence of the macrocycle conformation on the molecular electronic structure in Mg-porphyrins

Journal of computer-aided molecular design, 2001-02, Vol.15 (2), p.183-193

2001

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Density functional study of the redox processes in subphthalocyanines

International journal of quantum chemistry, 2003, Vol.91 (3), p.369-375

2003

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Acid-base behavior of triazoleporphyrazines in proton-donating media

Journal of physical organic chemistry, 2005-04, Vol.18 (4), p.329-335

2005

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Structural Modulation of the Dipolar−Octupolar Contributions to the NLO Response in Subphthalocyanines

The journal of physical chemistry. B, 2005-03, Vol.109 (9), p.3800-3806

2005

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Subphthalocyanines and Subnaphthalocyanines: Nonlinear Quasi-Planar Octupolar Systems with Permanent Polarity

The journal of physical chemistry. B, 2002-12, Vol.106 (51), p.13139-13145

2002

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Novel Push−Pull Phthalocyanines as Targets for Second-Order Nonlinear Applications

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-03, Vol.107 (12), p.2110-2117

2003

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The σ-donating and π-accepting properties of ortho-Si(CH3)3 phosphinine macrocycles

Heteroatom chemistry, 2003, Vol.14 (2), p.160-169

2003

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A theoretical study of subphthalocyanine and its nitro- and tertbutyl-derivatives

Journal of molecular structure. Theochem, 2001-03, Vol.537 (1), p.223-234

2001

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Molecular electronic structure of subphthalocyanine macrocycles

Journal of porphyrins and phthalocyanines, 2000-09, Vol.4 (6), p.611-620

2000

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El modelo didáctico de la formación de un cuadro químico del mundo en los estudiantes. Una vía para el cambio conceptual

Enseñanza de las ciencias, 1995-01, Vol.13 (2), p.171-177

1995

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Evaluation of ionic liquids as absorbents for ammonia absorption refrigeration cycles using COSMO-based process simulations

Introducing process simulation in ionic liquids design/selection for separation processes based on operational and economic criteria through the example of their regeneration

Integration of COSMO-based methodologies into commercial process simulators: Separation and purification of reuterin

Enterprise Ionic Liquids Database (ILUAM) for Use in Aspen ONE Programs Suite with COSMO-Based Property Methods

Aspen Plus supported conceptual design of the aromatic–aliphatic separation from low aromatic content naphtha using 4-methyl-N-butylpyridinium tetrafluoroborate ionic liquid

Conceptual design of unit operations to separate aromatic hydrocarbons from naphtha using ionic liquids. COSMO-based process simulations with multi-component “real” mixture feed

Molecular Structure of Chloro-dodecafluorosubphthalocyanato Boron(III) by Gas-Phase Electron Diffraction and Quantum Chemical Calculations

Techno-economic feasibility of ionic liquids-based CO2 chemical capture processes

Prediction of the solid-liquid equilibrium of ternary and quaternary salt-water systems. Influence of the e-NRTL interaction parameters

Estimation of e-NRTL binary interaction parameters and its impact on the prediction of thermodynamic properties of multicomponent electrolyte systems

Application of the e-NRTL model to electrolytes in mixed solvents methanol-, ethanol- water, and PEG-water

The axial coordination in subphthalocyanines.Geometrical and electronic aspects

Aromaticity in tautomers of triazoleporphyrazine

Molecular modeling of highly peripheral substituted Mg- and Zn-porphyrins

On the molecular electron structure of three phosphinine-containing macrocycles

A theoretical approach to the influence of the macrocycle conformation on the molecular electronic structure in Mg-porphyrins

Density functional study of the redox processes in subphthalocyanines

Acid-base behavior of triazoleporphyrazines in proton-donating media

Structural Modulation of the Dipolar−Octupolar Contributions to the NLO Response in Subphthalocyanines

Subphthalocyanines and Subnaphthalocyanines: Nonlinear Quasi-Planar Octupolar Systems with Permanent Polarity

Novel Push−Pull Phthalocyanines as Targets for Second-Order Nonlinear Applications

The σ-donating and π-accepting properties of ortho-Si(CH3)3 phosphinine macrocycles

A theoretical study of subphthalocyanine and its nitro- and tertbutyl-derivatives

Molecular electronic structure of subphthalocyanine macrocycles

El modelo didáctico de la formación de un cuadro químico del mundo en los estudiantes. Una vía para el cambio conceptual

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