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Difficulties and Virtues in Assessing the Potential Energy Surfaces of Carbon Clusters via DMBE Theory: Stationary Points of Cκ (κ = 2–10) at the Focal Point

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-04, Vol.123 (14), p.3121-3130

2019

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High-level ab initio quartic force fields and spectroscopic characterization of C2N

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (46), p.26227-26240

2021

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Reconciling spectroscopy with dynamics in global potential energy surfaces: The case of the astrophysically relevant SiC2

The Journal of chemical physics, 2022-09, Vol.157 (10), p.104301-104301

2022

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C n ( n =2-4): current status

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2018-03, Vol.376 (2115), p.20170145

2018

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Cn(n = 2 – 4): current status

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2018-03, Vol.376 (2115), p.1-46

2018

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Multiple conical intersections in small linear parameter Jahn-Teller systems: the DMBE potential energy surface of ground-state C 3 revisited

Physical chemistry chemical physics : PCCP, 2018-04, Vol.20 (15), p.10319-10331

2018

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The Jahn-Teller plus pseudo-Jahn-Teller vibronic problem in the C3 radical and its topological implications

The Journal of chemical physics, 2016-02, Vol.144 (6), p.064309-064309

2016

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Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C3 radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions

The Journal of chemical physics, 2015-08, Vol.143 (7), p.074302-074302

2015

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Bridging the gap between laboratory astrophysics and quantum chemistry: The concept of potential energy surfaces

Proceedings of the International Astronomical Union, 2019-04, Vol.15 (S350), p.61-64

Rocha, C. M. R.

2019

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Effect of ferulic acid on the performance of soy protein isolate-based edible coatings applied to fresh-cut apples

Food science & technology, 2017-07, Vol.80, p.409-415

2017

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Theoretical studies of carbon isotopic fractionation in reactions of C with C 2 : dynamics, kinetics, and isotopologue equilibria

Astronomy and astrophysics (Berlin), 2021-03, Vol.647, p.A142

2021

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High-level ab initio quartic force fields and spectroscopic characterization of C 2 N

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (46), p.26227-26240

2021

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High-level quartic force fields and spectroscopic characterization of CN

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (46), p.26227-2624

2021

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A general code for fitting global potential energy surfaces via CHIPR method: Direct-Fit Diatomic and tetratomic molecules

Computer physics communications, 2021-01, Vol.258, p.107556, Article 107556

2021

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A general code for fitting global potential energy surfaces via CHIPR method: Triatomic molecules

Computer physics communications, 2020-02, Vol.247, p.106913, Article 106913

2020

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Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C 3

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-09, Vol.123 (38), p.8154-8169

2019

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Theoretical studies of carbon isotopic fractionation in reactions of C with C2: dynamics, kinetics, and isotopologue equilibria

Astronomy and astrophysics (Berlin), 2021-03, Vol.647

2021

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Synergistic interactions of locust bean gum with whey proteins: Effect on physicochemical and microstructural properties of whey protein-based films

Food hydrocolloids, 2016-03, Vol.54, p.179-188

2016

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A global CHIPR potential energy surface for ground-state CH and exploratory dynamics studies of reaction C + CH → C + H

Physical chemistry chemical physics : PCCP, 2019-11, Vol.21 (44), p.2446-24418

2019

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A global CHIPR potential energy surface for ground-state C 3 H and exploratory dynamics studies of reaction C 2 + CH → C 3 + H

Physical chemistry chemical physics : PCCP, 2019-11, Vol.21 (44), p.24406-24418

2019

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Valorization of rice by-products: Protein-phenolic based fractions with bioactive potential

Journal of cereal science, 2020-09, Vol.95, p.103039, Article 103039

2020

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Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C3

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-09

2019

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A global CHIPR potential energy surface for ground-state C3H and exploratory dynamics studies of reaction C2 + CH → C3 + H

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (44), p.24406-24418

2019

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Energy-switching potential energy surface for ground-state C 3

Chemical physics letters, 2018-05, Vol.700, p.36-43

2018

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Multiple conical intersections in small linear parameter Jahn–Teller systems: the DMBE potential energy surface of ground-state C3 revisited

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (15), p.10319-10331

2018

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Difficulties and Virtues in Assessing the Potential Energy Surfaces of Carbon Clusters via DMBE Theory: Stationary Points of Cκ (κ = 2–10) at the Focal Point

High-level ab initio quartic force fields and spectroscopic characterization of C2N

Reconciling spectroscopy with dynamics in global potential energy surfaces: The case of the astrophysically relevant SiC2

C n ( n =2-4): current status

Cn(n = 2 – 4): current status

Multiple conical intersections in small linear parameter Jahn-Teller systems: the DMBE potential energy surface of ground-state C 3 revisited

The Jahn-Teller plus pseudo-Jahn-Teller vibronic problem in the C3 radical and its topological implications

Accurate ab initio-based double many-body expansion potential energy surface for the adiabatic ground-state of the C3 radical including combined Jahn-Teller plus pseudo-Jahn-Teller interactions

Bridging the gap between laboratory astrophysics and quantum chemistry: The concept of potential energy surfaces

Effect of ferulic acid on the performance of soy protein isolate-based edible coatings applied to fresh-cut apples

Theoretical studies of carbon isotopic fractionation in reactions of C with C 2 : dynamics, kinetics, and isotopologue equilibria

High-level ab initio quartic force fields and spectroscopic characterization of C 2 N

High-level quartic force fields and spectroscopic characterization of CN

A general code for fitting global potential energy surfaces via CHIPR method: Direct-Fit Diatomic and tetratomic molecules

A general code for fitting global potential energy surfaces via CHIPR method: Triatomic molecules

Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C 3

Theoretical studies of carbon isotopic fractionation in reactions of C with C2: dynamics, kinetics, and isotopologue equilibria

Synergistic interactions of locust bean gum with whey proteins: Effect on physicochemical and microstructural properties of whey protein-based films

A global CHIPR potential energy surface for ground-state CH and exploratory dynamics studies of reaction C + CH → C + H

A global CHIPR potential energy surface for ground-state C 3 H and exploratory dynamics studies of reaction C 2 + CH → C 3 + H

Valorization of rice by-products: Protein-phenolic based fractions with bioactive potential

Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C3

A global CHIPR potential energy surface for ground-state C3H and exploratory dynamics studies of reaction C2 + CH → C3 + H

Energy-switching potential energy surface for ground-state C 3

Multiple conical intersections in small linear parameter Jahn–Teller systems: the DMBE potential energy surface of ground-state C3 revisited

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