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Time‐dependent density functional theory study of the optical properties of tetrahedral aluminum nanoparticles

Journal of computational chemistry, 2022-06, Vol.43 (15), p.1033-1041

2022

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Density Functional Theory Calculations of Geometrical and Electronic Properties of Neutral and Charged Silicon Oxide Clusters

Bulletin of the Korean Chemical Society, 2019, 40(8), , pp.780-786

Bae, Gyun‐Tack

2019

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Time-Dependent Density Functional Theory Studies of Optical Properties of Ag Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra

Journal of physical chemistry. C, 2012-05, Vol.116 (18), p.10356-10367

2012

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Ab initio Monte Carlo simulations of structure and electronic properties of copper-tin clusters

Structural chemistry, 2021, Vol.32 (5), p.1787-1794

Bae, Gyun-Tack

2021

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Structures and Electronic Properties of Cu3On (n = 1-6) Clusters using ab initio Monte Carlo Simulations

Bulletin of the Korean Chemical Society, 2016, 37(5), , pp.638-642

Bae, Gyun-Tack

2016

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Monte Carlo Simulations and DFT Studies of the Structural Properties of Silicon Oxide Clusters Reacting with a Water Molecule

대한화학회지, 2023, 67(5), , pp.333-338

2023

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Density functional calculation of the structure and electronic properties of CunOn (n=1-8) clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-03, Vol.115 (11), p.2087-2095

2011

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Structure and electronic properties of copper oxide clusters and the effect of reacting with water investigated using Monte Carlo simulations and DFT calculations

Computational and theoretical chemistry, 2021-10, Vol.1204, p.113377, Article 113377

Bae, Gyun-Tack

2021

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ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters

대한화학회지, 2020, 64(2), , pp.61-66

2020

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Comparisons of the Functional and Basis Set Combinations for Silicon Oxide Clusters: A Density Functional Theory Study

Bulletin of the Korean Chemical Society, 2017, 38(11), , pp.1310-1315

2017

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Time-Dependent Density Functional Theory Studies of Optical Properties of Au Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra

Journal of physical chemistry. C, 2015-10, Vol.119 (40), p.23127-23137

2015

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TDDFT and CIS Studies of Optical Properties of Dimers of Silver Tetrahedra

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-08, Vol.116 (31), p.8260-8269

2012

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Improved ReaxFF Force Field Parameters for Au–S–C–H Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (40), p.10438-10446

2013

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Tuning the interparticle distances in self-assembled gold nanoparticle films with their plasmonic responses

Chemical physics letters, 2019-01, Vol.715, p.91-99

2019

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Novel aluminum-BODIPY dyads: intriguing dual-emission via photoinduced energy transfer

Dalton transactions : an international journal of inorganic chemistry, 2016-01, Vol.45 (13), p.5825-5832

2016

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Monte Carlo Simulations and DFT Studies of the Structural Properties of Silicon Oxide Clusters Reacting with a Water Molecule

Journal of the Korean Chemical Society, 2023, Vol.67 (5), p.333-338

2023

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ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters

Journal of the Korean Chemical Society, 2020, Vol.64 (2), p.61-66

2020

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Structures and Electronic Properties of Cu 3 O n ( n = 1–6) Clusters using ab initio Monte Carlo Simulations

Bulletin of the Korean Chemical Society, 2016-05, Vol.37 (5), p.638-642

Bae, Gyun‐Tack

2016

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Cu m SiO m+1 클러스터(m = 0 - 7)의 분자구조 그리고 전기적 특성에 관한 이론 연구

Journal of the Korean Chemical Society, 2016, Vol.60 (4), p.239-244

2016

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CumSiOm+1 클러스터(m = 0 - 7)의 분자구조 그리고 전기적 특성에 관한 이론 연구

대한화학회지, 2016, 60(4), , pp.239-244

2016

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Correction to “Time-Dependent Density Functional Theory Studies of Optical Properties of Ag Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra”

Journal of physical chemistry. C, 2012-10, Vol.116 (40), p.21646-21646

2012

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메탄올-산소-아르곤 혼합기체의 점화과정에 관한 충격관 실험

대한화학회지, 2004, 48(1), , pp.99-102

2004

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Novel aluminum-BODIPY dyads: intriguing dual-emission via photoinduced energy transferElectronic supplementary information (ESI) available: X-ray crystallographic data of 6-8 in CIF format, NMR spectra, and computational details. CCDC 1400922-1400924. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt05067g

2016-03

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Novel aluminum-BODIPY dyads: intriguing dual-emission viaphotoinduced energy transfer

Dalton transactions : an international journal of inorganic chemistry, 2016-03, Vol.45 (13), p.5825-5832

2016

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Theoretical Studies of the Structures and Electronic Properties of Cu m SiO m+1 Clusters (m = 0 - 7)

Journal of the Korean Chemical Society, 2016-08, Vol.60 (4), p.239-244

2016

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Time‐dependent density functional theory study of the optical properties of tetrahedral aluminum nanoparticles

Density Functional Theory Calculations of Geometrical and Electronic Properties of Neutral and Charged Silicon Oxide Clusters

Time-Dependent Density Functional Theory Studies of Optical Properties of Ag Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra

Ab initio Monte Carlo simulations of structure and electronic properties of copper-tin clusters

Structures and Electronic Properties of Cu3On (n = 1-6) Clusters using ab initio Monte Carlo Simulations

Monte Carlo Simulations and DFT Studies of the Structural Properties of Silicon Oxide Clusters Reacting with a Water Molecule

Density functional calculation of the structure and electronic properties of CunOn (n=1-8) clusters

Structure and electronic properties of copper oxide clusters and the effect of reacting with water investigated using Monte Carlo simulations and DFT calculations

ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters

Comparisons of the Functional and Basis Set Combinations for Silicon Oxide Clusters: A Density Functional Theory Study

Time-Dependent Density Functional Theory Studies of Optical Properties of Au Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra

TDDFT and CIS Studies of Optical Properties of Dimers of Silver Tetrahedra

Improved ReaxFF Force Field Parameters for Au–S–C–H Systems

Tuning the interparticle distances in self-assembled gold nanoparticle films with their plasmonic responses

Novel aluminum-BODIPY dyads: intriguing dual-emission via photoinduced energy transfer

Monte Carlo Simulations and DFT Studies of the Structural Properties of Silicon Oxide Clusters Reacting with a Water Molecule

ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters

Structures and Electronic Properties of Cu 3 O n ( n = 1–6) Clusters using ab initio Monte Carlo Simulations

Cu m SiO m+1 클러스터(m = 0 - 7)의 분자구조 그리고 전기적 특성에 관한 이론 연구

CumSiOm+1 클러스터(m = 0 - 7)의 분자구조 그리고 전기적 특성에 관한 이론 연구

Correction to “Time-Dependent Density Functional Theory Studies of Optical Properties of Ag Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra”

메탄올-산소-아르곤 혼합기체의 점화과정에 관한 충격관 실험

Novel aluminum-BODIPY dyads: intriguing dual-emission viaphotoinduced energy transfer

Theoretical Studies of the Structures and Electronic Properties of Cu m SiO m+1 Clusters (m = 0 - 7)

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