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Comparative DFT Study of van der Waals Complexes: Rare-Gas Dimers, Alkaline-Earth Dimers, Zinc Dimer, and Zinc-Rare-Gas Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-04, Vol.110 (15), p.5121-5129

2006

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Infrared spectroscopy of RG–Co+(H2O) complexes (RG = Ar, Ne, He): The role of rare gas “tag” atoms

The Journal of chemical physics, 2021-02, Vol.154 (6), p.064306-064306

2021

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Stable axially symmetric atomic impurity in an fcc solid—Ba in rare gases

The Journal of chemical physics, 2019-09, Vol.151 (12)

2019

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Leak-out spectroscopy as alternative method to rare-gas tagging for the Renner-Teller perturbed HCCH and DCCD ions

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (3), p.2692-273

2024

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Identification of Metal–Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions

Journal of physical chemistry. C, 2012-06, Vol.116 (24), p.13183-13195

2012

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Exploring the first‐shell and second‐shell structures arising in the microsolvation of Li+ by rare gases

International journal of quantum chemistry, 2019-07, Vol.119 (13), p.n/a

2019

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Interactions of Si() and Ge () with rare gas atoms (He-Rn): interaction potentials, spectroscopy, and ion transport coefficients

Physical chemistry chemical physics : PCCP, 2022-03, Vol.24 (11), p.7144-7163

2022

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Ab initio interaction potentials of alkali metal (M = Na and K)-rare gas (Rg = He, Ne, Ar, Kr, Xe and Rn) complexes

Molecular physics, 2024-03, Vol.122 (6)

2024

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A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg–H+–Rg), Rg = {Ne, Ar, Kr, and Xe}

The Journal of chemical physics, 2019-03, Vol.150 (12), p.124305-124305

2019

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Motion of NO+ ions in uniform electrostatic fields in the rare gases

Journal of physics. B, Atomic, molecular, and optical physics, 2021-09, Vol.54 (17), p.175202

2021

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Electronic predissociation in rare gas–dihalogen complexes

The Journal of chemical physics, 2020-03, Vol.152 (9), p.094303-094303

2020

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Global Potentials for the Interaction between Rare Gases and Graphene-Based Surfaces: An Atom–Bond Pairwise Additive Representation

Journal of physical chemistry. C, 2013-05, Vol.117 (20), p.10512-10522

2013

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Lightweight, Room-Temperature CO2 Gas Sensor Based on Rare-Earth Metal-Free CompositesAn Impedance Study

ACS applied materials & interfaces, 2017-08, Vol.9 (30), p.25553-25558

2017

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Vibrational predissociation versus intramolecular vibrational energy redistribution (IVR) in rare gas⋯dihalogen complexes: IVR identified in Ar⋯I2(B, ν′) using velocity-map imaging

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (46), p.26108-26119

2021

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Rare gas-naphthalene interaction: Intermolecular potentials and clusters’ structures

Chemical physics letters, 2021-06, Vol.773, p.138565, Article 138565

2021

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Theoretical Prediction of Rare Gas Containing Hydride Cations: HRgBF+ (Rg = He, Ar, Kr, and Xe)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (41), p.10772-10782

2013

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Trapping and migration of P-state atoms in rare gas solids: effect of angular momentum anisotropy for model O(3P) and C(3P) atoms

Molecular physics, 2022-01, Vol.120 (1-2)

2022

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A thermodynamic view on the microsolvation of ions by rare gas: application to Li with argon

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.1882-1892

2020

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Vibrational analysis of methyl cation—Rare gas atom complexes: CH3+—Rg (Rg = He, Ne, Ar, Kr)

The Journal of chemical physics, 2019-02, Vol.150 (8), p.084306-084306

2019

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Rare Gas−Benzene−Rare Gas Interactions: Structural Properties and Dynamic Behavior

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-02, Vol.114 (6), p.2266-2274

Albertí, Margarita

2010

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Doped rare gas clusters up to completion of first solvation shell, CO2–(Rg)n, n = 3–17, Rg = Ar, Kr, Xe

The Journal of chemical physics, 2023-03, Vol.158 (11), p.114302-114302

2023

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Continuous absorption and emission of light by the heteronuclear rare gas (ArXe)+ and (KrXe)+ ions

The Journal of chemical physics, 2022-11, Vol.157 (20), p.204307-204307

2022

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Atom-Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems

Molecules (Basel, Switzerland), 2021-07, Vol.26 (14), p.4206

2021

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Improved Estimates of Host‐Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations

Chemphyschem, 2022-12, Vol.23 (24), p.e202200413-n/a

2022

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Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2018-03, Vol.376 (2115), p.20170156

2018

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Comparative DFT Study of van der Waals Complexes: Rare-Gas Dimers, Alkaline-Earth Dimers, Zinc Dimer, and Zinc-Rare-Gas Dimers

Infrared spectroscopy of RG–Co+(H2O) complexes (RG = Ar, Ne, He): The role of rare gas “tag” atoms

Stable axially symmetric atomic impurity in an fcc solid—Ba in rare gases

Leak-out spectroscopy as alternative method to rare-gas tagging for the Renner-Teller perturbed HCCH and DCCD ions

Identification of Metal–Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions

Exploring the first‐shell and second‐shell structures arising in the microsolvation of Li+ by rare gases

Interactions of Si() and Ge () with rare gas atoms (He-Rn): interaction potentials, spectroscopy, and ion transport coefficients

Ab initio interaction potentials of alkali metal (M = Na and K)-rare gas (Rg = He, Ne, Ar, Kr, Xe and Rn) complexes

A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg–H+–Rg), Rg = {Ne, Ar, Kr, and Xe}

Motion of NO+ ions in uniform electrostatic fields in the rare gases

Electronic predissociation in rare gas–dihalogen complexes

Global Potentials for the Interaction between Rare Gases and Graphene-Based Surfaces: An Atom–Bond Pairwise Additive Representation

Lightweight, Room-Temperature CO2 Gas Sensor Based on Rare-Earth Metal-Free CompositesAn Impedance Study

Vibrational predissociation versus intramolecular vibrational energy redistribution (IVR) in rare gas⋯dihalogen complexes: IVR identified in Ar⋯I2(B, ν′) using velocity-map imaging

Rare gas-naphthalene interaction: Intermolecular potentials and clusters’ structures

Theoretical Prediction of Rare Gas Containing Hydride Cations: HRgBF+ (Rg = He, Ar, Kr, and Xe)

Trapping and migration of P-state atoms in rare gas solids: effect of angular momentum anisotropy for model O(3P) and C(3P) atoms

A thermodynamic view on the microsolvation of ions by rare gas: application to Li with argon

Vibrational analysis of methyl cation—Rare gas atom complexes: CH3+—Rg (Rg = He, Ne, Ar, Kr)

Rare Gas−Benzene−Rare Gas Interactions: Structural Properties and Dynamic Behavior

Doped rare gas clusters up to completion of first solvation shell, CO2–(Rg)n, n = 3–17, Rg = Ar, Kr, Xe

Continuous absorption and emission of light by the heteronuclear rare gas (ArXe)+ and (KrXe)+ ions

Atom-Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems

Improved Estimates of Host‐Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations

Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

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