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Structures and spectroscopy of medium size protonated ammonia clusters at different temperatures, H+(NH3)10–16

The Journal of chemical physics, 2017-01, Vol.146 (4), p.044305-044305

2017

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Structure and Spectroscopy of Hydrated Sodium Ions at Different Temperatures and the Cluster Stability Rules

Journal of chemical theory and computation, 2016-04, Vol.12 (4), p.1656-1673

2016

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Solvation energies of the proton in methanol revisited and temperature effects

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (46), p.29184-29206

2018

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Exploration of the potential energy surface of the ethanol hexamer

The Journal of chemical physics, 2019-03, Vol.150 (12), p.124308-124308

2019

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Structures and infrared spectroscopy of large sized protonated ammonia clusters

The Journal of chemical physics, 2018-12, Vol.149 (24), p.244301-244301

2018

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Structures and spectroscopy of the ammonia eicosamer, (NH3)n=20

The Journal of chemical physics, 2018-07, Vol.149 (2), p.024304-024304

2018

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Determination of the absolute solvation free energy and enthalpy of the proton in solutions

Journal of molecular liquids, 2021-01, Vol.322, p.114919, Article 114919

2021

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Beryllium ion coordination in Ammonia, methanol and water solvents

Journal of molecular liquids, 2022-08, Vol.360, p.119414, Article 119414

2022

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Solvation energies of the ferrous ion in water and in ammonia at various temperatures

Journal of molecular modeling, 2024-02, Vol.30 (2), p.52-52, Article 52

2024

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Adsorption of some cationic dyes onto two models of graphene oxide

Journal of molecular modeling, 2023, Vol.29 (12), p.380-380, Article 380

2023

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Structures of protonated methanol clusters and temperature effects

The Journal of chemical physics, 2013-05, Vol.138 (18), p.184301-184301

2013

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Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions

Theoretical chemistry accounts, 2020-11, Vol.139 (11), Article 163

2020

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Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (43), p.29226-29242

2015

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Structures and spectroscopy of protonated ammonia clusters at different temperatures

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (38), p.26827-26843

2016

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Rotational thermodynamic parameters for asymmetric-top molecules: classical vs. quantum approaches and new analytical partition function

Molecular physics, 2022-06, Vol.120 (12)

2022

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Solvation energies of the proton in ammonia explicitly versus temperature

The Journal of chemical physics, 2017-04, Vol.146 (13), p.134308-134308

2017

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Potential energy surfaces of the Cu2+(MeOH)n=1-8 clusters in solution phase

Results in Chemistry, 2023-12, Vol.6, p.101168, Article 101168

2023

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Anticonvulsant effects of Senna spectabilis on seizures induced by chemicals and maximal electroshock

Journal of ethnopharmacology, 2018-02, Vol.212, p.18-28

2018

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Exploration of the potential energy surfaces of small ethanol clusters

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (23), p.1321-13213

2020

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Revision of the Thermodynamics of the Proton in Gas Phase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-11, Vol.118 (46), p.11090-11097

2014

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Thermodynamics of the Electron Revisited and Generalized

Journal of chemical theory and computation, 2013-07, Vol.9 (7), p.3165-3169

Fifen, Jean Jules

2013

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Ionic radii of hydrated sodium cation from QTAIM

The Journal of chemical physics, 2019-01, Vol.150 (3), p.034304-034304

2019

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Structures, binding and clustering energies of Cu2+(MeOH)n=1-8 clusters and temperature effects: A DFT study

Polyhedron, 2023-04, Vol.234, Article 116343

2023

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Structures, spectroscopy, binding and clustering energies of the hydrated copper dication clusters

Computational and theoretical chemistry, 2024-06, Vol.1236, p.114609, Article 114609

2024

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Clusters of solvated ferrous ion in water–ammonia mixture: Structures and noncovalent interactions

Journal of molecular graphics & modelling, 2024-12, Vol.133, p.108867, Article 108867

2024

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Structures and spectroscopy of medium size protonated ammonia clusters at different temperatures, H+(NH3)10–16

Structure and Spectroscopy of Hydrated Sodium Ions at Different Temperatures and the Cluster Stability Rules

Solvation energies of the proton in methanol revisited and temperature effects

Exploration of the potential energy surface of the ethanol hexamer

Structures and infrared spectroscopy of large sized protonated ammonia clusters

Structures and spectroscopy of the ammonia eicosamer, (NH3)n=20

Determination of the absolute solvation free energy and enthalpy of the proton in solutions

Beryllium ion coordination in Ammonia, methanol and water solvents

Solvation energies of the ferrous ion in water and in ammonia at various temperatures

Adsorption of some cationic dyes onto two models of graphene oxide

Structures of protonated methanol clusters and temperature effects

Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions

Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio

Structures and spectroscopy of protonated ammonia clusters at different temperatures

Rotational thermodynamic parameters for asymmetric-top molecules: classical vs. quantum approaches and new analytical partition function

Solvation energies of the proton in ammonia explicitly versus temperature

Potential energy surfaces of the Cu2+(MeOH)n=1-8 clusters in solution phase

Anticonvulsant effects of Senna spectabilis on seizures induced by chemicals and maximal electroshock

Exploration of the potential energy surfaces of small ethanol clusters

Revision of the Thermodynamics of the Proton in Gas Phase

Thermodynamics of the Electron Revisited and Generalized

Ionic radii of hydrated sodium cation from QTAIM

Structures, binding and clustering energies of Cu2+(MeOH)n=1-8 clusters and temperature effects: A DFT study

Structures, spectroscopy, binding and clustering energies of the hydrated copper dication clusters

Clusters of solvated ferrous ion in water–ammonia mixture: Structures and noncovalent interactions

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