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A topological path to the formation of a quasi-planar B70 boron cluster and its dianion

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (21), p.15369-15375

2024

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Influence of Fluorination on Energetic Parameters of Silole, Phosphole, Thiophene, Oligomers of Silole and Related Acenes

Journal of fluorine chemistry, 2020-12, Vol.240, p.109665, Article 109665

2020

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Formation of pyramidal structures through mixing gold and platinum atoms: the AuxPty2+ clusters with x + y = 10

RSC advances, 2023-11, Vol.13 (47), p.32893-32903

2023

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Structural, electronic, and optical properties of some new dithienosilole derivatives

Structural chemistry, 2020-12, Vol.31 (6), p.2215-2225

2020

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Correction: A topological path to the formation of a quasi-planar B70 boron cluster and its dianion

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (21), p.15784-15784

2024

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Boron Silicon B2Si3q and B3Si2p Clusters: The Smallest Aromatic Ribbons

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-05, Vol.126 (20), p.3101-3109

2022

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Unravelling the alkali transport properties in nanocrystalline A3OX (A = Li, Na, X = Cl, Br) solid state electrolytes. A theoretical prediction

RSC advances, 2022-07, Vol.12 (31), p.20029-20036

2022

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A reinvestigation of the boron cluster B15+/0/−: a benchmark of density functionals and consideration of aromaticity models

Physical chemistry chemical physics : PCCP, 2024-04, Vol.26 (15), p.11347-11359

2024

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A theoretical study of the Li5B3Six(BH)3-x isolobal systems with x = 0–3: Remarkable materials for H2 adsorption

International journal of hydrogen energy, 2024-02, Vol.57, p.1486-1497

2024

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On the role of different types of electron in double ring tubular clusters

Chemical physics letters, 2017-10, Vol.685, p.377-384

2017

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Silicon doped boron clusters: how to make stable ribbons?

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (23), p.14913-14918

2017

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The binary boron lithium clusters B12Lin with n = 1–14: in search for hydrogen storage materials

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (43), p.24866-24877

2021

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The scandium doped boron cluster B27Sc2+: a fruit can-like structure

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (17), p.8933-8939

2019

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The 2D-to-3D geometry hopping in small boron clusters: The charge effect

Chemical physics letters, 2013-07, Vol.577, p.32-37

2013

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Elucidating the binding mechanism of thione‐containing mercaptopurine and thioguanine drugs to small gold clusters

Journal of computational chemistry, 2020-07, Vol.41 (19), p.1748-1758

2020

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Electronic Structure and Chemical Bonding in the Double Ring Tubular Boron Clusters

Journal of physical chemistry. C, 2014-10, Vol.118 (41), p.24181-24187

2014

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Comment on ‘Structural characterization, reactivity and vibrational properties of silver clusters: a new global minimum for Ag16’ by P. L. Rodríguez-Kessler, A. R. Rodríguez-Domínguez, D. MacLeod Carey and A. Muñoz-Castro, Phys. Chem. Chem. Phys., 2020, 22, 27255, DOI: D0CP04018E

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (22), p.12900-12903

2021

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A particle on a hollow cylinder: the triple ring tubular cluster B27(+)

Physical chemistry chemical physics : PCCP, 2014-09, Vol.16 (36), p.19470-19478

2014

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Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n = 2-22, m = 1, 2

Physical chemistry chemical physics : PCCP, 2019-04, Vol.21 (16), p.8365-8375

2019

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The teetotum cluster Li2FeB14 and its possible use for constructing boron nanowires

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (26), p.15013-15021

2020

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Electronic structure of the boron fullerene B14 and its silicon derivatives B13Si(+), B13Si(-) and B12Si2: a rationalization using a cylinder model

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (26), p.17619-17626

2016

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A disk-aromatic bowl cluster B 30 : toward formation of boron buckyballs

Chemical communications (Cambridge, England), 2014, Vol.50 (13), p.1558-1560

2014

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A theoretical approach to the role of different types of electrons in planar elongated boron clusters

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (24), p.133-1339

2019

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A disk-aromatic bowl cluster B30: toward formation of boron buckyballs

Chemical communications (Cambridge, England), 2014-02, Vol.50 (13), p.1558-1560

2014

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Electronic Structure and Thermochemical Parameters of the Silicon-Doped Boron Clusters BnSi, with n = 8-14, and Their Anions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (20), p.3623-3633

2016

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A topological path to the formation of a quasi-planar B70 boron cluster and its dianion

Influence of Fluorination on Energetic Parameters of Silole, Phosphole, Thiophene, Oligomers of Silole and Related Acenes

Formation of pyramidal structures through mixing gold and platinum atoms: the AuxPty2+ clusters with x + y = 10

Structural, electronic, and optical properties of some new dithienosilole derivatives

Correction: A topological path to the formation of a quasi-planar B70 boron cluster and its dianion

Boron Silicon B2Si3q and B3Si2p Clusters: The Smallest Aromatic Ribbons

Unravelling the alkali transport properties in nanocrystalline A3OX (A = Li, Na, X = Cl, Br) solid state electrolytes. A theoretical prediction

A reinvestigation of the boron cluster B15+/0/−: a benchmark of density functionals and consideration of aromaticity models

A theoretical study of the Li5B3Six(BH)3-x isolobal systems with x = 0–3: Remarkable materials for H2 adsorption

On the role of different types of electron in double ring tubular clusters

Silicon doped boron clusters: how to make stable ribbons?

The binary boron lithium clusters B12Lin with n = 1–14: in search for hydrogen storage materials

The scandium doped boron cluster B27Sc2+: a fruit can-like structure

The 2D-to-3D geometry hopping in small boron clusters: The charge effect

Elucidating the binding mechanism of thione‐containing mercaptopurine and thioguanine drugs to small gold clusters

Electronic Structure and Chemical Bonding in the Double Ring Tubular Boron Clusters

Comment on ‘Structural characterization, reactivity and vibrational properties of silver clusters: a new global minimum for Ag16’ by P. L. Rodríguez-Kessler, A. R. Rodríguez-Domínguez, D. MacLeod Carey and A. Muñoz-Castro, Phys. Chem. Chem. Phys., 2020, 22, 27255, DOI: D0CP04018E

A particle on a hollow cylinder: the triple ring tubular cluster B27(+)

Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n = 2-22, m = 1, 2

The teetotum cluster Li2FeB14 and its possible use for constructing boron nanowires

Electronic structure of the boron fullerene B14 and its silicon derivatives B13Si(+), B13Si(-) and B12Si2: a rationalization using a cylinder model

A disk-aromatic bowl cluster B 30 : toward formation of boron buckyballs

A theoretical approach to the role of different types of electrons in planar elongated boron clusters

A disk-aromatic bowl cluster B30: toward formation of boron buckyballs

Electronic Structure and Thermochemical Parameters of the Silicon-Doped Boron Clusters BnSi, with n = 8-14, and Their Anions

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