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References from Structural evolution, electronic and optical properties of praseodymium doped silicon cluster PrSi0/- (n = 10–20): A theoretical investigation. Local targets link to admitted publications; unresolved targets remain external evidence.
Endohedrally doped cage clusters
10.1021/acs.chemrev.9b00651 · 2020 · External reference
Structures of silicon cluster cations in the gas phase
10.1021/ja807518y · 2009 · External reference
Super atomic clusters: design rules and potential for building blocks of materials
10.1021/acs.chemrev.7b00524 · 2018 · External reference
The future of integrated circuits: a survey of nanoelectronics
10.1109/jproc.2009.2032356 · 2009 · External reference
Distributed optical fiber sensing: review and perspective
10.1063/1.5113955 · 2019 · External reference
Silicon solar cells: toward the efficiency limits
2019 · External reference
Optical behaviors of Mn4+-modified cubic type ZnTiO3:Eu3+ nanocrystals: Application in optical thermometers based on fluorescence intensity ratio and lifetime
10.1016/j.saa.2023.123339 · 2024 · External reference
Water-soluble photoluminescent silicon quantum dots
10.1002/anie.200501256 · 2005 · External reference
Structural, electronic, and magnetic properties of AgnCo (n = 1–9) clusters: a first-principles study
10.1016/j.comptc.2015.05.009 · 2015 · External reference
Structures of Ni-doped Bn (n = 1–13) clusters: a computational study
10.1016/j.ica.2024.122062 · 2024 · External reference
Structural characterization of Co-doped Pdn (n = 1–12) clusters: first-principles calculations
10.1016/j.cplett.2018.11.012 · 2019 · External reference
On the search of small Cu-Ru atomically precise superatoms. Cu10Ru cluster as a stable 18-ve endohedral structure
10.1016/j.cplett.2020.137721 · 2020 · External reference
Structure and stability of Mo-doped Cun (n = 1–12) clusters: DFT calculations
10.1016/j.ica.2023.121620 · 2023 · External reference
Structure and stability of Cu-doped Bn (n = 1–12) clusters: DFT calculations
10.1016/j.poly.2023.116538 · 2023 · External reference
Structural evolution of the rhodium-doped silver clusters AgnRh (n ≤ 15) and their reactivity toward NO
10.1021/acs.jpcc.7b05048 · 2017 · External reference
Structures and electronic properties of TinV (n = 1–16) clusters: first-principles calculations
10.1021/acs.jpca.6b00224 · 2016 · External reference
Structures and relative stability of medium-sized silicon clusters. IV. Motifbased low-lying clusters Si21–Si30
2006 · External reference
Structures and electronic properties of VSin- (n = 14–20) clusters: a combined experimental and density functional theory study
10.1039/d2cp00619g · 2022 · External reference
Photoelectron spectroscopy and density functional investigation of the structural evolution, electronic, and magnetic properties of CrSin- (n = 14–18) clusters
10.1021/acs.jpca.1c09557 · 2022 · External reference
Study the structures and electronic properties of CsSin− (n = 5–16) clusters by ab initio global search
10.1007/s11224-023-02203-2 · 2024 · External reference
Structures, stabilities and electronic properties of TimSin- (m = 1-2, n = 14-20) clusters: a combined ab initio and experimental study
2020 · External reference
Optical analysis of Pr3+-doped Li6AlGd(BO3)4 phosphors for white LEDs
2022 · External reference
Photoelectron spectroscopy of lanthanide-silicon cluster anions LnSin- (3 ≤ n ≤ 13; Ln = Ho, Gd, Pr, Sm, Eu, Yb): prospect for magnetic silicon-based clusters
10.1021/ja805205r · 2009 · External reference
Structural and electronic properties of LaSin-/0 (n = 2−6) clusters: anion photoelectron spectroscopy and density functional calculations
10.1021/acs.jpca.1c08487 · 2021 · External reference
Anion photoelectron spectroscopy of transition metal- and lanthanide metal-silicon clusters: MSin- (n = 6–20)
10.1063/1.3023080 · 2008 · External reference
Electronic and geometric stabilities of clusters with transition metal encapsulated by silicon
10.1021/jp066757f · 2007 · External reference
Chemical characterization of an alkali-like superatom consisting of a Ta-encapsulating Si16 cage
10.1021/jacs.5b08035 · 2015 · External reference
Growth behavior, electronic structure, and vibrational properties of SinY anion clusters (n = 4–20): Metal atom as linker and endohedral dopant
10.1103/physrevb.88.085412 · 2013 · External reference
Charged and magnetic fullerenes of silicon by metal encapsulation: predictions from ab initio calculations
10.1103/physrevb.74.125411 · 2006 · External reference
Density-functional investigation of metal-silicon cage clusters MSin (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn; n = 8–16)
10.1103/physrevb.77.195417 · 2008 · External reference
Probing the structural and electronic properties of neutral and anionic lanthanum-doped silicon clusters
10.1021/acs.jpcc.9b07184 · 2019 · External reference
Particle-swarm structure prediction on clusters
10.1063/1.4746757 · 2012 · External reference
Probing the structural and electronic properties of lanthanide-metal-doped silicon clusters: M@Si6 (M = Pr, Gd, Ho)
10.1016/j.physleta.2011.06.015 · 2011 · External reference
Stable structures of LnSi6- and LnSi6 clusters (Ln = Pr, Eu, Gd, Tb, Yb), C2v or C5v? Explanation of photoelectron spectra
10.1016/j.comptc.2015.07.005 · 2015 · External reference
A density functional investigation on the electronic and magnetic properties of LnSi (Ln = La-Lu) diatom
10.1007/s12039-015-1010-z · 2016 · External reference
Structural assignment, and electronic and magnetic properties of lanthanide metal doped silicon heptamers Si7M0/- with M = Pr, Gd and Ho
10.1039/c6cp05570b · 2016 · External reference
Probing the structures, stabilities and electronic properties of neutral and anionic PrSinλ (n = 1–9, λ = 0, -1) clusters: comparison with pure silicon clusters
10.1007/s10876-021-02188-0 · 2022 · External reference
Study on the structures and properties of praseodymium‑doped silicon clusters PrSin (n = 3–9) and their anions with density functional schemes
10.1007/s00214-016-2017-3 · 2016 · External reference
Stability and electronic properties of praseodymium-doped silicon clusters PrSin (n = 12–21)
10.1007/s00894-017-3352-6 · 2017 · External reference
Structural stability and evolution of terbium-doped silicon clusters and influence of 4f→5d electronic transition mechanism on magnetism and appearance of photoelectron spectroscopy for TbSin0/- (n = 6-18) clusters
10.1002/qua.26087 · 2020 · External reference
Structural and electronic properties of nanosize semiconductor CeSin0/- (n = 4–20) material: a double-hybrid density functional theoryinvestigation
10.1016/j.comptc.2019.112635 · 2019 · External reference
Theoretical exploration of global minima, magnetism, structural stability and growth pattern of holmium-doped silicon HoSin0/- (n = 10–18) nanoclusters
10.1002/qua.26776 · 2021 · External reference
Unresolved reference
External reference
NWPEsSe: an adaptive-learning global optimization algorithm for nanosized cluster systems
10.1021/acs.jctc.9b01107 · 2020 · External reference
ABCluster: the artificial bee colony algorithm for cluster global optimization
10.1039/c5cp04060d · 2015 · External reference
Global optimization of clusters of rigid molecules using the artificial bee colony algorithm
10.1039/c5cp06313b · 2016 · External reference
CALYPSO: A method for crystal structure prediction
10.1016/j.cpc.2012.05.008 · 2012 · External reference
Crystal structure prediction via particle-swarm optimization
2010 · External reference
Interface structure prediction via CALYPSO method
10.1016/j.scib.2019.02.009 · 2019 · External reference
Toward reliable density functional methods without adjustable parameters: the PBE0 model
10.1063/1.478522 · 1999 · External reference
Ab initio energy-adjusted pseudopotentials for elements of groups 13–17
10.1080/00268979300103121 · 1993 · External reference
Pseudopotentials study of the rare earth monohydrides monoxides and monofluorides
10.1007/bf00526695 · 1989 · External reference
A combination of quasirelativistic pseudopotential and ligand field calculations for lanthanoid compounds
10.1007/bf01112983 · 1993 · External reference
Gaussian basis sets for use in correlated molecular calculations. Ⅲ. The atoms aluminum through argon
10.1063/1.464303 · 1993 · External reference
Energy-adjusted ab initio pseudopotentials for the rare earth elements
10.1063/1.456066 · 1989 · External reference
Segmented contraction scheme for small-core lanthanide pseudopotential basis sets
10.1016/s0166-1280(01)00751-5 · 2002 · External reference
Towards chemical accuracy for the thermodynamics of large molecules: new hybrid density functionals including non-local correlation effects
10.1039/b608478h · 2006 · External reference
VMD: Visual molecular dynamics
10.1016/0263-7855(96)00018-5 · 1996 · External reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · 2012 · External reference
Structural stability and evolution of scandium-doped silicon clusters: evolution of linked to encapsulated structures and its influence on the prediction of electron affinities for ScSin (n = 4–16) Clusters
10.1021/acs.inorgchem.8b02159 · 2018 · External reference
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
10.1103/physrevb.33.8822 · 1986 · External reference
Density-functional exchange-energy approximation with correct asymptotic behavior
10.1103/physreva.38.3098 · 1988 · External reference
Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si7–Si11
10.1063/1.1535906 · 2003 · External reference
Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12–Si20
10.1063/1.1690755 · 2004 · External reference
Improving virtual Kohn–Sham orbitals and eigenvalues: application to excitation energies and static polarizabilities
10.1063/1.477711 · 1998 · External reference
Photoelectron spectra of aluminum cluster anions: temperature effects and ab initio simulations
10.1103/physrevb.60.r11297 · 1999 · External reference
An sp-hybridized all-carboatomic ring, cyclo[18]carbon: electronic structure, electronic spectrum, and optical nonlinearity
10.1016/j.carbon.2020.05.023 · 2020 · External reference