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Underlying mechanisms of gold nanoalloys stabilization

The Journal of chemical physics, 2023-12, Vol.159 (24)

2023

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What Electronic Structure Method Can Be Used in the Global Optimization of Nanoclusters?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-12, Vol.123 (48), p.10454-10462

2019

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Non-Adiabatic Reaction Dynamics in the Gas-Phase Formation of Phosphinidenesilylene, the Isovalent Counterpart of Hydrogen Isocyanide, under Single-Collision Conditions

The journal of physical chemistry letters, 2021-03, Vol.12 (10), p.2489-2495

2021

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The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (6), p.4939-4949

2023

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Chemical dynamics study on the gas-phase reaction of the D1-silylidyne radical (SiD; XΠ) with deuterium sulfide (DS) and hydrogen sulfide (HS)

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (24), p.13647-13661

2021

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Reliability of semiempirical and DFTB methods for the global optimization of the structures of nanoclusters

Journal of molecular modeling, 2020-11, Vol.26 (11), p.303-303, Article 303

2020

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A Crossed Molecular Beams and Computational Study of the Formation of the Astronomically Elusive Thiosilaformyl Radical (HSiS, X2A′)

The journal of physical chemistry letters, 2021-07, Vol.12 (25), p.5979-5986

2021

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Theoretical study of the O(3P) + CN(X2Σ+) → CO(X1Σ+) + N(2D)/N(4S) reactions

The Journal of chemical physics, 2024-02, Vol.160 (6)

2024

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Gas-Phase Preparation of Silyl Cyanide (SiH3CN) via a Radical Substitution Mechanism

Journal of the American Chemical Society, 2022-05, Vol.144 (19), p.8649-8657

2022

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New SiS destruction and formation routes via neutral-neutral reactions and their fundamental role in interstellar clouds at low- and high-metallicity values

Astronomy and astrophysics (Berlin), 2024-07, Vol.687, p.A149

2024

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Computational screening of silver-based single-atom alloys catalysts for CO2 reduction

The Journal of chemical physics, 2024-03, Vol.160 (9)

2024

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The Si + SO2 collision and an extended network of neutral–neutral reactions between silicon and sulphur bearing species

Monthly notices of the Royal Astronomical Society, 2022-07, Vol.515 (1), p.369-377

2022

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Directed gas-phase preparation of the elusive phosphinosilylidyne (SiPH 2 , X 2 A′′) and cis / trans phosphinidenesilyl (HSiPH; X 2 A′) radicals under single-collision conditions

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (34), p.18506-18516

2021

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Theoretical study of small sodium-potassium alloy clusters through genetic algorithm and quantum chemical calculations

Physical chemistry chemical physics : PCCP, 2014-05, Vol.16 (19), p.8895-8904

2014

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Can third-body stabilisation of bimolecular collision complexes in cold molecular clouds happen?

Molecular physics, 2024-01, Vol.122 (1-2)

2024

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A new active learning approach for global optimization of atomic clusters

Theoretical chemistry accounts, 2021-06, Vol.140 (6), Article 62

2021

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Emerging contaminants removal by granular activated carbon obtained from residual Macauba biomass

Environmental science and pollution research international, 2018-09, Vol.25 (26), p.26482-26492

2018

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An ab initio investigation of the adsorption properties of water on binary AlSi clusters

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (42), p.24669-24676

2020

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Thermochromism in Polydiacetylene/Poly(vinyl alcohol) Hydrogels Obtained by the Freeze–Thaw Method: A Theoretical and Experimental Study

Industrial & engineering chemistry research, 2021-09, Vol.60 (36), p.13243-13252

2021

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Structural and homotop optimization of neutral Al-Si nanoclusters

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (25), p.17464-17470

2018

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Editorial: Structure and dynamics of atmospheric, plasma, and astrochemical molecular processes

Frontiers in physics, 2022-11, Vol.10

2022

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Nonadiabatic reaction dynamics to silicon monosulfide (SiS): A key molecular building block to sulfur-rich interstellar grains

Science advances, 2021-06, Vol.7 (26)

2021

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Oxidative desulfurization of dibenzothiophene over highly dispersed Mo-doped graphitic carbon nitride

Chemical papers, 2022-06, Vol.76 (6), p.3401-3412

2022

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Study of the Counter Cation Effects on the Supramolecular Structure and Electronic Properties of a Dianionic Oxamate-Based {Ni II 2 } Helicate

Molecules (Basel, Switzerland), 2023-02, Vol.28 (5), p.2086

2023

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Low-temperature formation of pyridine and (iso)quinoline via neutral–neutral reactions

Nature astronomy, 2024-05, Vol.8 (7), p.856-864

2024

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Underlying mechanisms of gold nanoalloys stabilization

What Electronic Structure Method Can Be Used in the Global Optimization of Nanoclusters?

Non-Adiabatic Reaction Dynamics in the Gas-Phase Formation of Phosphinidenesilylene, the Isovalent Counterpart of Hydrogen Isocyanide, under Single-Collision Conditions

The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces

Chemical dynamics study on the gas-phase reaction of the D1-silylidyne radical (SiD; XΠ) with deuterium sulfide (DS) and hydrogen sulfide (HS)

Reliability of semiempirical and DFTB methods for the global optimization of the structures of nanoclusters

A Crossed Molecular Beams and Computational Study of the Formation of the Astronomically Elusive Thiosilaformyl Radical (HSiS, X2A′)

Theoretical study of the O(3P) + CN(X2Σ+) → CO(X1Σ+) + N(2D)/N(4S) reactions

Gas-Phase Preparation of Silyl Cyanide (SiH3CN) via a Radical Substitution Mechanism

New SiS destruction and formation routes via neutral-neutral reactions and their fundamental role in interstellar clouds at low- and high-metallicity values

Computational screening of silver-based single-atom alloys catalysts for CO2 reduction

The Si + SO2 collision and an extended network of neutral–neutral reactions between silicon and sulphur bearing species

Directed gas-phase preparation of the elusive phosphinosilylidyne (SiPH 2 , X 2 A′′) and cis / trans phosphinidenesilyl (HSiPH; X 2 A′) radicals under single-collision conditions

Theoretical study of small sodium-potassium alloy clusters through genetic algorithm and quantum chemical calculations

Can third-body stabilisation of bimolecular collision complexes in cold molecular clouds happen?

A new active learning approach for global optimization of atomic clusters

Emerging contaminants removal by granular activated carbon obtained from residual Macauba biomass

An ab initio investigation of the adsorption properties of water on binary AlSi clusters

Thermochromism in Polydiacetylene/Poly(vinyl alcohol) Hydrogels Obtained by the Freeze–Thaw Method: A Theoretical and Experimental Study

Structural and homotop optimization of neutral Al-Si nanoclusters

Editorial: Structure and dynamics of atmospheric, plasma, and astrochemical molecular processes

Nonadiabatic reaction dynamics to silicon monosulfide (SiS): A key molecular building block to sulfur-rich interstellar grains

Oxidative desulfurization of dibenzothiophene over highly dispersed Mo-doped graphitic carbon nitride

Study of the Counter Cation Effects on the Supramolecular Structure and Electronic Properties of a Dianionic Oxamate-Based {Ni II 2 } Helicate

Low-temperature formation of pyridine and (iso)quinoline via neutral–neutral reactions

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