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Increasing the kinetic stability of a gas‐phase contact ion‐pair through enhancement of the carbocation stability

International journal of quantum chemistry, 2022-06, Vol.122 (12), p.n/a

2022

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Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

The Journal of chemical physics, 2022-10, Vol.157 (15), p.154305-154305

2022

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Photodissociation and formation of an ion‐pair in CH2FCl (HCFC‐31)

Journal of computational chemistry, 2024-03, Vol.45 (8), p.476-486

2024

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Acid Enriched with Methanol: Formation of a Prebiotic Cluster in the Interstellar Medium

Chemphyschem, 2022-11, Vol.23 (22), p.e202200403-n/a

2022

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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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Photochemistry of CF3Cl: Quenching of Charged Fragments Is Caused by Nonadiabatic Effects

Journal of chemical theory and computation, 2018-09, Vol.14 (9), p.4844-4855

2018

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Photochemistry of CH3Cl: Dissociation and CH···Cl Hydrogen Bond Formation

Journal of the American Chemical Society, 2016-01, Vol.138 (1), p.272-280

2016

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Surface hopping modeling of charge and energy transfer in active environments

Physical chemistry chemical physics : PCCP, 2023-03, Vol.25 (12), p.8293-8316

2023

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Valence and Rydberg states of CH3Cl: a MR-CISD study

2014-01

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Photodissociation and formation of an ion-pair in CH 2 FCl (HCFC-31)

Journal of computational chemistry, 2024-03, Vol.45 (8), p.476-486

2024

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Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Qat Diagnostic

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-10, Vol.127 (46), p.9842-9852

2023

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Electronic properties of the low-lying spin states of dimethylnitrosamine coordinated to Fe(III) heme models: An ab initio study

International journal of quantum chemistry, 2014-04, Vol.114 (8), p.508-520

2014

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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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The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction

Journal of mathematical chemistry, 2024-04, Vol.62 (4), p.922-935

2024

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Photochemistry of Monohydrated Chloromethane: Formation of Free and Hydrated Cl– and CH3 + Ions from a Solvent-Shared Semi-Ion-Pair

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-10, Vol.125 (39), p.8603-8614

2021

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Photochemistry of CH3Cl: Dissociation and CH center dot center dot center dot Cl Hydrogen Bond Formation

Journal of the American Chemical Society, 2016-01, Vol.138 (1), p.272-280

2016

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Can a gas phase contact ion pair containing a hydrocarbon carbocation be formed in the ground state?

RSC advances, 2021-01, Vol.11 (7), p.4221-423

2021

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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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Solvent effect on the tautomers' stabilities of protonated N,N‐dimethylnitrosamine: The role of hydrogen bonds network

International journal of quantum chemistry, 2017-02, Vol.117 (4), p.n/a

2017

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Photochemistry of CF 3 Cl: Quenching of Charged Fragments is Caused by Nonadiabatic Effects

Journal of chemical theory and computation, 2018-09, Vol.14 (9), p.4844-4855

2018

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Challenges encountered during development of Mn porphyrin-based, potent redox-active drug and superoxide dismutase mimic, MnTnBuOE-2-PyP5+, and its alkoxyalkyl analogues

Journal of inorganic biochemistry, 2017-04, Vol.169, p.50-60

2017

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Assessment of density-functionals for describing the X(-) + CH3ONO2 gas-phase reactions with X = F, OH, CH2CN

Physical chemistry chemical physics : PCCP, 2014-12, Vol.16 (48), p.26769-26778

2014

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Photochemistry of CH 3 Cl: Dissociation and CH···Cl Hydrogen Bond Formation

Journal of the American Chemical Society, 2016-01, Vol.138 (1), p.272-280

2016

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CASSCF and MR–CISD study of the n−4s and n−4pe Rydberg states of the CF3Cl

Chemical physics letters, 2012-09, Vol.546, p.30-33

2012

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Increasing the kinetic stability of a gas‐phase contact ion‐pair through enhancement of the carbocation stability

Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

Photodissociation and formation of an ion‐pair in CH2FCl (HCFC‐31)

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

Acid Enriched with Methanol: Formation of a Prebiotic Cluster in the Interstellar Medium

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

Photochemistry of CF3Cl: Quenching of Charged Fragments Is Caused by Nonadiabatic Effects

Photochemistry of CH3Cl: Dissociation and CH···Cl Hydrogen Bond Formation

Surface hopping modeling of charge and energy transfer in active environments

Valence and Rydberg states of CH3Cl: a MR-CISD study

Photodissociation and formation of an ion-pair in CH 2 FCl (HCFC-31)

Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Qat Diagnostic

Electronic properties of the low-lying spin states of dimethylnitrosamine coordinated to Fe(III) heme models: An ab initio study

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

The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction

Photochemistry of Monohydrated Chloromethane: Formation of Free and Hydrated Cl– and CH3 + Ions from a Solvent-Shared Semi-Ion-Pair

Photochemistry of CH3Cl: Dissociation and CH center dot center dot center dot Cl Hydrogen Bond Formation

Can a gas phase contact ion pair containing a hydrocarbon carbocation be formed in the ground state?

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

Solvent effect on the tautomers' stabilities of protonated N,N‐dimethylnitrosamine: The role of hydrogen bonds network

Photochemistry of CF 3 Cl: Quenching of Charged Fragments is Caused by Nonadiabatic Effects

Challenges encountered during development of Mn porphyrin-based, potent redox-active drug and superoxide dismutase mimic, MnTnBuOE-2-PyP5+, and its alkoxyalkyl analogues

Assessment of density-functionals for describing the X(-) + CH3ONO2 gas-phase reactions with X = F, OH, CH2CN

Photochemistry of CH 3 Cl: Dissociation and CH···Cl Hydrogen Bond Formation

CASSCF and MR–CISD study of the n−4s and n−4pe Rydberg states of the CF3Cl

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