Research graph
References from Theoretical Insight into the Optical Properties of Al <i>m</i> N <i>n</i> ( <i>m</i> = 1–8, <i>n</i> = 1–2) Clusters under External Electric Fields. Local targets link to admitted publications; unresolved targets remain external evidence.
Toward Efficient Hydrogen Storage: A Quantum Chemical Study of Beryllium Clusters
10.1021/acsomega.6c01490 · 2026 · External reference
Structural, Vibrational, and Electronic Properties of Copper-Doped Silicon and Germanium Cation Clusters CuXn+ (X = Si or Ge, n = 6-16): A Density Functional Theory Study
10.1021/acsomega.5c05549 · 2025 · External reference
Intensity-Dependent Third-Order Nonlinear Optical Switching in Bi (OH) CrO4/AgBr/PMMA Organic Glasses for Smart Photonic Applications
10.1016/j.jallcom.2026.189373 · 2026 · External reference
Enhancing the Reactivity of Aluminum Powder under Different Heating Rates by Nanoaluminum Powder and Fluororubber
10.1021/acsomega.5c09714 · 2026 · External reference
Beyond superhalogen assembly: Field-driven hyperhalogen design via dual-external-field cooperativity
10.1016/j.cclet.2025.111265 · 2025 · External reference
Expanding the Spectral Range in T2-Supertetrahedral Nonlinear Optical Chalcogenides via Incorporating Inorganic Polycations
10.1002/anie.202505421 · 2025 · External reference
Completely characterizing multimode second-order nonlinear optical quantum processes
10.1038/s41566-025-01787-x · 2026 · External reference
Influence of CaCO3 and Al2O3 on the Mechanical Properties of Aluminum Foam for Lightweight Structural Applications
10.1021/acsomega.5c10363 · 2026 · External reference
Elevating the optical nonlinearity: design, synthesis, and properties of a mixed-ligand zinc (II) metal–organic framework
10.1021/acsami.4c22681 · 2025 · External reference
Enhanced Nonlinear Optical Response and Self-Powered CPL Detection in Unique Triangular–Tetrahedral Chiral Copper (I) Halides
10.1002/anie.202509283 · 2025 · External reference
Application of hard and soft acid-base theory to construct heterometallic materials with metal-oxo clusters
10.1002/ange.202417548 · 2025 · External reference
Formation of intrinsic point defects in AlN: a study of donor and acceptor characteristics using hybrid QM/MM techniques
10.1039/d4ta04335a · 2024 · External reference
Optical properties of intrinsic vacancy and interstitial defects in AlN
10.1063/5.0287150 · 2025 · External reference
Ultrawide-bandgap semiconductor AlN crystals: growth and applications
10.1039/d0tc04182c · 2021 · External reference
Thermally-stable AlN-based green and red composite ceramic phosphor wheel for LD lighting with high CRI
10.1016/j.ceramint.2023.10.252 · 2024 · External reference
Anisotropic elastic recovery behavior of AlN ceramic during nanoindentation and scratching
10.1016/j.wear.2023.204622 · 2023 · External reference
Investigation of structural, IR spectral, thermodynamics and excitation property alterations in (AlN)12 cluster under external electric fields
10.1140/epjd/s10053-024-00911-w · 2024 · External reference
First principles study of structural and electronic properties of AlnN (n=1–19) clusters
10.1016/j.physleta.2008.03.067 · 2008 · External reference
Enhanced thermal conductivity of epoxy composites by introducing 1D AlN whiskers and constructing directionally aligned 3D AlN filler skeletons
10.1021/acsami.2c18356 · 2023 · External reference
Mechanisms of anisotropic material removal and deformation in ultra-precision grinding of polycrystalline AlN ceramics
10.1016/j.jeurceramsoc.2026.118281 · 2026 · External reference
Density functional study on the geometric features and growing pattern of AlnNm clusters (n=1–4, m=1–4, n+m≤ 5)
10.1016/j.commatsci.2011.06.035 · 2011 · External reference
The structure, electronic state and stability of nitrogen-doped aluminum clusters
10.1016/j.theochem.2003.12.043 · 2004 · External reference
A ligand-induced homojunction between aluminum-based superatomic clusters
10.1039/d0nr02611e · 2020 · External reference
Exploring the mechanism of photoinduced charge transfer based on a dspirobifluorene-decorated donor under an external electric field
10.1016/j.molliq.2024.124073 · 2024 · External reference
Oriented external electric field as a precise tool for continuous modulation of electron affinity and superhalogen conversion in the Ca4O4 and Ca4S4 clusters
10.1016/j.cplett.2026.142909 · 2026 · External reference
External electric field effects on chemical structure and reactivity
2020 · External reference
Modulated NiS2/CdS Heterojunctions Distortion with Built-in Electric Field for Electromagnetic Wave Absorption
10.1002/adfm.74648 · 2026 · External reference
Unresolved reference
2016 · External reference
Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr
10.1016/0009-2614(89)87234-3 · 1989 · External reference
Stabilities of hydrocarbons and carbocations. 1. A comparison of augmented 6-31G, 6-311G, and correlation consistent basis sets
10.1021/ja00031a015 · 1992 · External reference
Time-dependent density functional theory
10.1146/annurev.physchem.55.091602.094449 · 2004 · External reference
Glycosylation and ESIPT synergistically regulate the antioxidant activity of flavonoids
10.1016/j.jphotobiol.2026.113424 · 2026 · External reference
Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field
10.1016/j.saa.2018.10.026 · 2019 · External reference
External electric field-dependent photoinduced charge transfer in non-fullerene organic solar cells
10.1016/j.saa.2022.121763 · 2023 · External reference
Comparison of property-oriented basis sets for the computation of electronic and nuclear relaxation hyperpolarizabilities
10.1021/acs.jctc.5b00434 · 2015 · External reference
Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities
10.1021/jp502475e · 2014 · External reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · 2012 · External reference
VMD: visual molecular dynamics
10.1016/0263-7855(96)00018-5 · 1996 · External reference
Atomic and molecular electron affinities: photoelectron experiments and theoretical computations
10.1021/cr990044u · 2002 · External reference
Molecular shape, capacitance, and chemical hardness
10.1002/(sici)1097-461x(2000)77:1<358::aid-qua35>3.0.co;2-d · 2000 · External reference
Quantum mechanical methods for predicting nonlinear optical properties
10.1002/9780470125892.ch5 · 1998 · External reference
Efficient Simulation of Surface-Enhanced Raman Scattering with a Simplified Damped Response Theory
10.1021/acs.jctc.4c01567 · 2025 · External reference
Reactivity and electronic structure of aluminum clusters: the aluminum–nitrogen system
10.1063/1.1333017 · 2001 · External reference
Plasmon-enhanced Raman optical activity in chiral tip-nanorod configuration
10.1364/oe.580235 · 2026 · External reference
Theoretically guided development of excitation-wavelength-dependent multifunctional phosphor based on gallium vacancy perturbation
10.1021/acsami.4c19674 · 2025 · External reference
Formation of Al13I-: Evidence for the superhalogen character of Al13
10.1126/science.1093902 · 2004 · External reference
Hyperhalogens: discovery of a new class of highly electronegative species
10.1002/anie.201002212 · 2010 · External reference
Gold-caged metal clusters with large HOMO– LUMO gap and high electron affinity
10.1021/ja055407o · 2005 · External reference
Structural evolution and electronic properties of Dicesium-doped aluminum clusters: A comparative study of anions and neutrals
10.1016/j.commatsci.2025.114372 · 2026 · External reference
Molecular shape, capacitance, and chemical hardness
10.1002/(sici)1097-461x(2000)77:1<358::aid-qua35>3.0.co;2-d · ExternalCitation · doi-reference
Quantum mechanical methods for predicting nonlinear optical properties
10.1002/9780470125892.ch5 · ExternalCitation · doi-reference
Modulated NiS2/CdS Heterojunctions Distortion with Built-in Electric Field for Electromagnetic Wave Absorption
10.1002/adfm.74648 · ExternalCitation · doi-reference
Application of hard and soft acid-base theory to construct heterometallic materials with metal-oxo clusters
10.1002/ange.202417548 · ExternalCitation · doi-reference
Hyperhalogens: discovery of a new class of highly electronegative species
10.1002/anie.201002212 · ExternalCitation · doi-reference
Expanding the Spectral Range in T2-Supertetrahedral Nonlinear Optical Chalcogenides via Incorporating Inorganic Polycations
10.1002/anie.202505421 · ExternalCitation · doi-reference
Enhanced Nonlinear Optical Response and Self-Powered CPL Detection in Unique Triangular–Tetrahedral Chiral Copper (I) Halides
10.1002/anie.202509283 · ExternalCitation · doi-reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · ExternalCitation · doi-reference
Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr
10.1016/0009-2614(89)87234-3 · ExternalCitation · doi-reference
VMD: visual molecular dynamics
10.1016/0263-7855(96)00018-5 · ExternalCitation · doi-reference
Beyond superhalogen assembly: Field-driven hyperhalogen design via dual-external-field cooperativity
10.1016/j.cclet.2025.111265 · ExternalCitation · doi-reference
Thermally-stable AlN-based green and red composite ceramic phosphor wheel for LD lighting with high CRI
10.1016/j.ceramint.2023.10.252 · ExternalCitation · doi-reference
Density functional study on the geometric features and growing pattern of AlnNm clusters (n=1–4, m=1–4, n+m≤ 5)
10.1016/j.commatsci.2011.06.035 · ExternalCitation · doi-reference
Structural evolution and electronic properties of Dicesium-doped aluminum clusters: A comparative study of anions and neutrals
10.1016/j.commatsci.2025.114372 · ExternalCitation · doi-reference
Oriented external electric field as a precise tool for continuous modulation of electron affinity and superhalogen conversion in the Ca4O4 and Ca4S4 clusters
10.1016/j.cplett.2026.142909 · ExternalCitation · doi-reference
Intensity-Dependent Third-Order Nonlinear Optical Switching in Bi (OH) CrO4/AgBr/PMMA Organic Glasses for Smart Photonic Applications
10.1016/j.jallcom.2026.189373 · ExternalCitation · doi-reference
Mechanisms of anisotropic material removal and deformation in ultra-precision grinding of polycrystalline AlN ceramics
10.1016/j.jeurceramsoc.2026.118281 · ExternalCitation · doi-reference
Glycosylation and ESIPT synergistically regulate the antioxidant activity of flavonoids
10.1016/j.jphotobiol.2026.113424 · ExternalCitation · doi-reference
Exploring the mechanism of photoinduced charge transfer based on a dspirobifluorene-decorated donor under an external electric field
10.1016/j.molliq.2024.124073 · ExternalCitation · doi-reference
First principles study of structural and electronic properties of AlnN (n=1–19) clusters
10.1016/j.physleta.2008.03.067 · ExternalCitation · doi-reference
Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field
10.1016/j.saa.2018.10.026 · ExternalCitation · doi-reference
External electric field-dependent photoinduced charge transfer in non-fullerene organic solar cells
10.1016/j.saa.2022.121763 · ExternalCitation · doi-reference
The structure, electronic state and stability of nitrogen-doped aluminum clusters
10.1016/j.theochem.2003.12.043 · ExternalCitation · doi-reference
Anisotropic elastic recovery behavior of AlN ceramic during nanoindentation and scratching
10.1016/j.wear.2023.204622 · ExternalCitation · doi-reference
Efficient Simulation of Surface-Enhanced Raman Scattering with a Simplified Damped Response Theory
10.1021/acs.jctc.4c01567 · ExternalCitation · doi-reference
Comparison of property-oriented basis sets for the computation of electronic and nuclear relaxation hyperpolarizabilities
10.1021/acs.jctc.5b00434 · ExternalCitation · doi-reference
Enhanced thermal conductivity of epoxy composites by introducing 1D AlN whiskers and constructing directionally aligned 3D AlN filler skeletons
10.1021/acsami.2c18356 · ExternalCitation · doi-reference
Theoretically guided development of excitation-wavelength-dependent multifunctional phosphor based on gallium vacancy perturbation
10.1021/acsami.4c19674 · ExternalCitation · doi-reference
Elevating the optical nonlinearity: design, synthesis, and properties of a mixed-ligand zinc (II) metal–organic framework
10.1021/acsami.4c22681 · ExternalCitation · doi-reference
Structural, Vibrational, and Electronic Properties of Copper-Doped Silicon and Germanium Cation Clusters CuXn+ (X = Si or Ge, n = 6-16): A Density Functional Theory Study
10.1021/acsomega.5c05549 · ExternalCitation · doi-reference
Enhancing the Reactivity of Aluminum Powder under Different Heating Rates by Nanoaluminum Powder and Fluororubber
10.1021/acsomega.5c09714 · ExternalCitation · doi-reference
Influence of CaCO3 and Al2O3 on the Mechanical Properties of Aluminum Foam for Lightweight Structural Applications
10.1021/acsomega.5c10363 · ExternalCitation · doi-reference
Toward Efficient Hydrogen Storage: A Quantum Chemical Study of Beryllium Clusters
10.1021/acsomega.6c01490 · ExternalCitation · doi-reference
Atomic and molecular electron affinities: photoelectron experiments and theoretical computations
10.1021/cr990044u · ExternalCitation · doi-reference
Stabilities of hydrocarbons and carbocations. 1. A comparison of augmented 6-31G, 6-311G, and correlation consistent basis sets
10.1021/ja00031a015 · ExternalCitation · doi-reference
Gold-caged metal clusters with large HOMO– LUMO gap and high electron affinity
10.1021/ja055407o · ExternalCitation · doi-reference
Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities
10.1021/jp502475e · ExternalCitation · doi-reference
Completely characterizing multimode second-order nonlinear optical quantum processes
10.1038/s41566-025-01787-x · ExternalCitation · doi-reference
A ligand-induced homojunction between aluminum-based superatomic clusters
10.1039/d0nr02611e · ExternalCitation · doi-reference
Ultrawide-bandgap semiconductor AlN crystals: growth and applications
10.1039/d0tc04182c · ExternalCitation · doi-reference
Formation of intrinsic point defects in AlN: a study of donor and acceptor characteristics using hybrid QM/MM techniques
10.1039/d4ta04335a · ExternalCitation · doi-reference
Reactivity and electronic structure of aluminum clusters: the aluminum–nitrogen system
10.1063/1.1333017 · ExternalCitation · doi-reference
Optical properties of intrinsic vacancy and interstitial defects in AlN
10.1063/5.0287150 · ExternalCitation · doi-reference
Formation of Al13I-: Evidence for the superhalogen character of Al13
10.1126/science.1093902 · ExternalCitation · doi-reference
Investigation of structural, IR spectral, thermodynamics and excitation property alterations in (AlN)12 cluster under external electric fields
10.1140/epjd/s10053-024-00911-w · ExternalCitation · doi-reference
Time-dependent density functional theory
10.1146/annurev.physchem.55.091602.094449 · ExternalCitation · doi-reference
Plasmon-enhanced Raman optical activity in chiral tip-nanorod configuration
10.1364/oe.580235 · ExternalCitation · doi-reference
