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Modeling Oil Shale Pyrolysis: High-Temperature Unimolecular Decomposition Pathways for Thiophene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-10, Vol.121 (40), p.7655-7666

2017

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A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-03, Vol.123 (10), p.2049-2057

2019

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An ab Initio Exploration of the Bergman Cyclization

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-01, Vol.122 (1), p.420-430

2018

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An Extended Multireference Study of the Singlet and Triplet States of the 9,10-didehydroanthracene Diradical

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (14), p.3688-3696

2018

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A Computational Study of the Reactivity of 3,5-(Oxo/Thioxo) Derivatives of 2,7-Dimethyl-1,2,4-Triazepines. Keto–Enol Tautomerization and Potential for Hydrogen Storage

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-03, Vol.122 (11), p.3076-3086

2018

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Halogen Bonding Interactions for Aromatic and Nonaromatic Explosive Detection

ACS sensors, 2019-02, Vol.4 (2), p.389-397

2019

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Entry-level spin distributions and relative γ -neutron branching ratios of samarium isotopes populated by the ( p , t ) reaction

Physical review. C, 2018-10, Vol.98 (4), Article 044618

2018

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Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

Chemical reviews, 2018-06, Vol.118 (11), p.5755-5870

2018

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Reactivity of Metal Clusters

Chemical reviews, 2016-12, Vol.116 (23), p.14456-14492

2016

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Superatoms: Electronic and Geometric Effects on Reactivity

Accounts of chemical research, 2017-02, Vol.50 (2), p.255-263

2017

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ψ‑Graphene: A New Metallic Allotrope of Planar Carbon with Potential Applications as Anode Materials for Lithium-Ion Batteries

The journal of physical chemistry letters, 2017-07, Vol.8 (14), p.3234-3241

2017

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Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries

Journal of power sources, 2021-02, Vol.485 (C), p.229318, Article 229318

2021

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Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity

The journal of physical chemistry letters, 2020-05, Vol.11 (9), p.3501-3506

2020

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Penta-graphene: A new carbon allotrope

Proceedings of the National Academy of Sciences - PNAS, 2015-02, Vol.112 (8), p.2372-2377

2015

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Tetragonal C24: a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (10), p.5733-5739

2019

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Soft, curved electrode systems capable of integration on the auricle as a persistent brain–computer interface

Proceedings of the National Academy of Sciences - PNAS, 2015-03, Vol.112 (13), p.3920-3925

2015

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Yttrium–Sodium Halides as Promising Solid-State Electrolytes with High Ionic Conductivity and Stability for Na-Ion Batteries

The journal of physical chemistry letters, 2020-05, Vol.11 (9), p.3376-3383

2020

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Body-Centered Tetragonal C 16 : A Novel Topological Node-Line Semimetallic Carbon Composed of Tetrarings

Small (Weinheim an der Bergstrasse, Germany), 2017-03, Vol.13 (12)

2017

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More than just a support: Graphene as a solid-state ligand for palladium-catalyzed cross-coupling reactions

Journal of catalysis, 2018-04, Vol.360 (C), p.20-26

2018

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N-doped peanut-shaped carbon nanotubes for efficient CO2 electrocatalytic reduction

Carbon (New York), 2019-11, Vol.152 (C), p.241-246

2019

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Benzothiazole- and benzoxazole-linked porous polymers for carbon dioxide storage and separation

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (1), p.258-265

2017

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Solvent–Solvent Correlations across Graphene: The Effect of Image Charges

ACS nano, 2020-07, Vol.14 (7), p.7987-7998

2020

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Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance

Nanoscale, 2020-10, Vol.12 (37), p.19367-19374

2020

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Magnetism of Otherwise Nonmagnetic Elements: From Clusters to Monolayers

Journal of physical chemistry. C, 2024-07, Vol.128 (29), p.12286-12295

2024

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Anisotropic structure and dynamics of water under static electric fields

The Journal of chemical physics, 2019-02, Vol.150 (7), p.074505-074505

2019

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Modeling Oil Shale Pyrolysis: High-Temperature Unimolecular Decomposition Pathways for Thiophene

A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine

An ab Initio Exploration of the Bergman Cyclization

An Extended Multireference Study of the Singlet and Triplet States of the 9,10-didehydroanthracene Diradical

A Computational Study of the Reactivity of 3,5-(Oxo/Thioxo) Derivatives of 2,7-Dimethyl-1,2,4-Triazepines. Keto–Enol Tautomerization and Potential for Hydrogen Storage

Halogen Bonding Interactions for Aromatic and Nonaromatic Explosive Detection

Entry-level spin distributions and relative γ -neutron branching ratios of samarium isotopes populated by the ( p , t ) reaction

Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

Reactivity of Metal Clusters

Superatoms: Electronic and Geometric Effects on Reactivity

ψ‑Graphene: A New Metallic Allotrope of Planar Carbon with Potential Applications as Anode Materials for Lithium-Ion Batteries

Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries

Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity

Penta-graphene: A new carbon allotrope

Tetragonal C24: a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries

Soft, curved electrode systems capable of integration on the auricle as a persistent brain–computer interface

Yttrium–Sodium Halides as Promising Solid-State Electrolytes with High Ionic Conductivity and Stability for Na-Ion Batteries

Body-Centered Tetragonal C 16 : A Novel Topological Node-Line Semimetallic Carbon Composed of Tetrarings

More than just a support: Graphene as a solid-state ligand for palladium-catalyzed cross-coupling reactions

N-doped peanut-shaped carbon nanotubes for efficient CO2 electrocatalytic reduction

Benzothiazole- and benzoxazole-linked porous polymers for carbon dioxide storage and separation

Solvent–Solvent Correlations across Graphene: The Effect of Image Charges

Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance

Magnetism of Otherwise Nonmagnetic Elements: From Clusters to Monolayers

Anisotropic structure and dynamics of water under static electric fields

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