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On the Potential Application of Superalkali Clusters in Designing Novel Alkalides with Large Nonlinear Optical Properties
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/chem.201201570openalex-snapshot
The Excess Electron in a Boron Nitride Nanotube: Pyramidal NBO Charge Distribution and Remarkable First Hyperpolarizability
inferredcites →https://doi.org/10.1002/cphc.200600014openalex-snapshot
Novel Superalkali Superhalogen Compounds (Li3)+(SH)− (SH=LiF2, BeF3, and BF4) with Aromaticity: New Electrides and Alkalides
inferredcites →https://doi.org/10.1002/cphc.200600157openalex-snapshot
Effect of the Complexant Shape on the Large First Hyperpolarizability of Alkalides Li+(NH3)4M−
inferredcites →https://doi.org/10.1002/cphc.201200805openalex-snapshot
Substituent Effects on the Structural Features and Nonlinear Optical Properties of the Organic Alkalide Li+(calix[4]pyrrole)Li−
inferredcites →https://doi.org/10.1002/zaac.19382360134openalex-snapshot
Orthosalze von Sauerstoffsäuren
inferredcites →https://doi.org/10.1002/zaac.19774350102openalex-snapshot
Neue Untersuchungen an Na3NO3
inferredcites →https://doi.org/10.1016/0009-2614(82)80272-8openalex-snapshot
DVM Xα calculations on the electronic structure of “superalkali” cations
inferredcites →https://doi.org/10.1016/j.cplett.2004.06.011openalex-snapshot
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
inferredcites →https://doi.org/10.1021/cr00025a007openalex-snapshot
Design and construction of molecular assemblies with large second-order optical nonlinearities. Quantum chemical aspects
inferredcites →https://doi.org/10.1021/ic00049a022openalex-snapshot
Ab initio study of superalkalis. First ionization potentials and thermodynamic stability
inferredcites →https://doi.org/10.1021/ic800184zopenalex-snapshot
Compounds of Superatom Clusters: Preferred Structures and Significant Nonlinear Optical Properties of the BLi6-X (X = F, LiF2, BeF3, BF4) Motifs
inferredcites →https://doi.org/10.1021/ja00385a072openalex-snapshot
Effectively hypervalent first-row molecules. 1. Octet rule violations by OLi3 and OLi4
inferredcites →https://doi.org/10.1021/ja00809a060openalex-snapshot
Crystalline salt of the sodium anion (Na-)
inferredcites →https://doi.org/10.1021/ja00830a005openalex-snapshot
Alkali anions. Preparation and crystal structure of a compound which contains the cryptated sodium cation and the sodium anion
inferredcites →https://doi.org/10.1021/ja025655+openalex-snapshot
“Inverse Sodium Hydride”: A Crystalline Salt that Contains H+ and Na-
inferredcites →https://doi.org/10.1021/ja027241mopenalex-snapshot
Barium Azacryptand Sodide, the First Alkalide with an Alkaline Earth Cation, Also Contains a Novel Dimer, (Na2)2-
inferredcites →https://doi.org/10.1021/ja056314+openalex-snapshot
Nonlinear Optical Properties of Alkalides Li + (calix[4]pyrrole)M - (M = Li, Na, and K): Alkali Anion Atomic Number Dependence
inferredcites →https://doi.org/10.1021/ja071647nopenalex-snapshot
Superatom Compounds, Clusters, and Assemblies: Ultra Alkali Motifs and Architectures
inferredcites →https://doi.org/10.1021/ja411755topenalex-snapshot
Lower the Electron Affinity by Halogenation: An Unusual Strategy To Design Superalkali Cations
inferredcites →https://doi.org/10.1021/ja9032023openalex-snapshot
Quantum Mechanical Design and Structure of the Li@B10H14Basket with a Remarkably Enhanced Electro-Optical Response
inferredcites →https://doi.org/10.1021/ja992667vopenalex-snapshot
Crystalline Salts of Na- and K- (Alkalides) that Are Stable at Room Temperature
inferredcites →https://doi.org/10.1021/jp027008aopenalex-snapshot
σ-Aromaticity and σ-Antiaromaticity in Alkali Metal and Alkaline Earth Metal Small Clusters
inferredcites →https://doi.org/10.1021/jp036808yopenalex-snapshot
An ab Initio Prediction of the Extraordinary Static First Hyperpolarizability for the Electron-Solvated Cluster (FH)2{e}(HF)
inferredcites →https://doi.org/10.1021/jp060584copenalex-snapshot
What Is the Role of the Complexant in the Large First Hyperpolarizability of Sodide Systems Li(NH3)nNa (n = 1−4)?
inferredcites →https://doi.org/10.1021/jp076790hopenalex-snapshot
Structures and Considerable Static First Hyperpolarizabilities: New Organic Alkalides (M+@n6adz)M‘- (M, M‘ = Li, Na, K; n = 2, 3) with Cation Inside and Anion Outside of the Cage Complexants
inferredcites →https://doi.org/10.1021/jp110417zopenalex-snapshot
Ab Initio Investigation on a New Class of Binuclear Superalkali Cations M2Li2k+1+ (F2Li3+, O2Li5+, N2Li7+, and C2Li9+)
inferredcites →https://doi.org/10.1021/jp4115095openalex-snapshot
Superalkalis and Superhalogens As Building Blocks of Supersalts
inferredcites →https://doi.org/10.1021/jp982644nopenalex-snapshot
Theoretical Study of Strong Hydrogen Bonds between Neutral Molecules: The Case of Amine Oxides and Phosphine Oxides as Hydrogen Bond Acceptors
inferredcites →https://doi.org/10.1039/b312984eopenalex-snapshot
Pressure induced phase transition and amorphization of Na3ONO2
inferredcites →https://doi.org/10.1039/b809161gopenalex-snapshot
Large static first and second hyperpolarizabilities dominated by excess electron transition for radical ion pair salts M 2 ˙ + TCNQ˙ − (M = Li, Na, K)
inferredcites →https://doi.org/10.1039/c1jm14358aopenalex-snapshot
The stability and nonlinear optical properties: Encapsulation of an excess electron compound LiCN⋯Li within boron nitride nanotubes
inferredcites →https://doi.org/10.1039/c2jm15405fopenalex-snapshot
The interaction between superalkalis (M3O, M = Na, K) and a C20F20 cage forming superalkali electride salt molecules with excess electrons inside the C20F20 cage: dramatic superalkali effect on the nonlinear optical property
inferredcites →https://doi.org/10.1039/c3dt51559aopenalex-snapshot
Theoretical study on superalkali (Li 3 ) in ammonia: novel alkalides with considerably large first hyperpolarizabilities
inferredcites →https://doi.org/10.1063/1.1811609openalex-snapshot
The static polarizability and first hyperpolarizability of the water trimer anion: Ab initio study
inferredcites →https://doi.org/10.1063/1.2715573openalex-snapshot
Assessment of the efficiency of long-range corrected functionals for some properties of large compounds
inferredcites →https://doi.org/10.1063/1.3139023openalex-snapshot
On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional
inferredcites →https://doi.org/10.1063/1.3254835openalex-snapshot
Low ionization potentials of binuclear superalkali B2Li11
inferredcites →https://doi.org/10.1063/1.3636082openalex-snapshot
Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O−
inferredcites →https://doi.org/10.1063/1.434213openalex-snapshot
Hyperpolarizabilities of the nitroanilines and their relations to the excited state dipole moment
inferredcites →https://doi.org/10.1063/1.434888openalex-snapshot
Optical nonlinearities of conjugated molecules. Stilbene derivatives and highly polar aromatic compounds
inferredcites →https://doi.org/10.1063/1.446431openalex-snapshot
The photoionization of oxidized metal clusters
inferredcites →https://doi.org/10.1063/1.4728073openalex-snapshot
Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O−
inferredcites →https://doi.org/10.1063/1.555809openalex-snapshot
Recommended Data on the Electron Impact Ionization of Atoms and Ions: Fluorine to Nickel
inferredcites →https://doi.org/10.1071/ch11334openalex-snapshot
Structural Characteristics and Large Non-Linear Optical Responses of New Alkaline Earth-Based Alkalides
inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
inferredcites →https://doi.org/10.1103/physrevb.51.13705openalex-snapshot
Atomic clusters: Building blocks for a class of solids
inferredcites →https://doi.org/10.1103/physrevlett.69.1664openalex-snapshot
Assembling crystals from clusters
inferredcites →https://doi.org/10.1515/zna-1982-1215openalex-snapshot
Zum Tieftemperaturverhalten von Na3NO3
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4781009openalex-extracted
New Series of Metallic Superalkalis Fnmn+1+ Cations (M=Li, Na and K)
inferred← citeshttps://doi.org/10.1002/chem.201806194openalex-snapshot
On the Possibility of Using the Jellium Model as a Guide To Design Bimetallic Superalkali Cations
inferred← citeshttps://doi.org/10.1002/chem.201901460openalex-snapshot
Recent Progress on the Design, Characterization, and Application of Superalkalis
inferred← citeshttps://doi.org/10.1002/chem.202003733openalex-snapshot
On the Role of Alkali‐Metal‐Like Superatom Al12P in Reduction and Conversion of Carbon Dioxide
inferred← citeshttps://doi.org/10.1002/cphc.201600389openalex-snapshot
Stability and Nonlinear Optical Response of Alkalides that Contain a Completely Encapsulated Superalkali Cluster
inferred← citeshttps://doi.org/10.1002/cphc.201600970openalex-snapshot
Theoretical Study of the Substituent Effects on the Nonlinear Optical Properties of a Room‐Temperature‐Stable Organic Electride
inferred← citeshttps://doi.org/10.1002/qua.25313openalex-snapshot
Competition between alkalide characteristics and nonlinear optical properties in OLi 3 MLi 3 O (M = Li, Na, and K) complexes
inferred← citeshttps://doi.org/10.1002/qua.25661openalex-snapshot
Li4C4H2N2: A molecule with large hyperpolarizabilities and electride characteristic
inferred← citeshttps://doi.org/10.1002/qua.25904openalex-snapshot
CO 2 ‐activation and enhanced capture by C 6 Li 6 : A density functional approach
inferred← citeshttps://doi.org/10.1002/qua.27060openalex-snapshot
DFT study of enhancement in nonlinear optical response of exohedrally and endohedrally alkaline earth metals (Be, Mg, Ca) doped adamanzane
inferred← citeshttps://doi.org/10.1002/slct.201802769openalex-snapshot
Facially Polarized Molecule for Alkalides and Superalkalides with Considerable Nonlinear Optical Response
inferred← citeshttps://doi.org/10.1007/978-981-99-4878-9_32openalex-snapshot
Effect of Methyl Substitutions on the Ionization Energy of OH3−n(CH3)n+
inferred← citeshttps://doi.org/10.1007/s00214-022-02941-2openalex-snapshot
Designing metal-free organic superalkalis by modifying benzene: a theoretical perspective
inferred← citeshttps://doi.org/10.1007/s00894-015-2750-xopenalex-snapshot
Superalkali atoms bonding to the phenalenyl radical: structures, intermolecular interaction and nonlinear optical properties
inferred← citeshttps://doi.org/10.1007/s00894-016-2994-0openalex-snapshot
Hydrogenated superalkalis and their possible applications
inferred← citeshttps://doi.org/10.1007/s00894-020-04450-0openalex-snapshot
Designing a novel material with considerable nonlinear optical responses based on the bicorannulenyl molecule
inferred← citeshttps://doi.org/10.1007/s11082-023-05818-1openalex-snapshot
Face specific superalkali doped corannulene complexes with significant electronic and nonlinear optical responses
inferred← citeshttps://doi.org/10.1007/s11082-026-08931-zopenalex-snapshot
Molecular modeling of [15]anen5 based alkaline earthides to explore their electronic and nonlinear optical properties
inferred← citeshttps://doi.org/10.1007/s11224-017-1069-xopenalex-snapshot
Hydrides, alkalides, and halides of calcium metal chain: electronic structure and NLO property
inferred← citeshttps://doi.org/10.1007/s11224-022-01989-xopenalex-snapshot
Exploring the effect of complexant on remarkably high static and dynamic second hyperpolarizability of aziridine-based diffuse electron systems: a theoretical study
inferred← citeshttps://doi.org/10.1007/s11224-022-02003-0openalex-snapshot
Role of central core and methyl substitutions in XH4-x(CH3)x (X = N, P, As; x = 0–4) superalkalis: an ab initio study
inferred← citeshttps://doi.org/10.1007/s11224-025-02547-xopenalex-snapshot
Enhanced nonlinear optical response of alkaline earthides based on transition metals as a source of excess electrons in the presence of horizontally oriented external electric field
inferred← citeshttps://doi.org/10.1007/s11224-025-02551-1openalex-snapshot
Structural, electronic, and energetic modifications in alkali metal-doped Ge₁₂C₁₂ nanocages for tuning nonlinear optical response, energetic offsets, and charge transfer dynamics: computational insights for advanced photonic materials
inferred← citeshttps://doi.org/10.1007/s11224-025-02646-9openalex-snapshot
Thermodynamic and Electronic Stability of Alkalides Based on Tetraza-18-Crown-6 Ether Complexes for Enhanced Nonlinear Optical Performance
inferred← citeshttps://doi.org/10.1007/s11696-025-04044-1openalex-snapshot
Hydrogen-based binuclear superalkalis H2M3 (M = Li and Na) and their catalytic applications: a theoretical study
inferred← citeshttps://doi.org/10.1007/s40097-021-00429-2openalex-snapshot
Remarkable electronic and NLO properties of bimetallic superalkali clusters: a DFT study
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.14700-6openalex-snapshot
Lithium, Sodium, Potassium, Rubidium, and Cesium
inferred← citeshttps://doi.org/10.1016/b978-0-12-822943-9.00002-4openalex-snapshot
Structures, reactivity, and properties of low ionization energy species doped fullerenes and their complexes with superhalogen
inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.04.042openalex-snapshot
Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A DFT study
inferred← citeshttps://doi.org/10.1016/j.apsusc.2020.145544openalex-snapshot
Remarkably enhanced first hyperpolarizability and nonlinear refractive index of novel graphdiyne-based materials for promising optoelectronic applications: A first-principles study
inferred← citeshttps://doi.org/10.1016/j.chemphys.2019.05.013openalex-snapshot
BHx+ (x = 1–6) clusters: In the quest for superalkali cation with B-core and H-ligands
inferred← citeshttps://doi.org/10.1016/j.commatsci.2024.113471openalex-snapshot
Theoretical investigation on the possible use of superalkalis containing aza-cryptand in designing novel alkalides and alkaline earthides
inferred← citeshttps://doi.org/10.1016/j.comptc.2020.112853openalex-snapshot
Theoretical research on nonlinear optical properties of sandwich compounds M3-NO3-M'3 (M, M' = Li, Na, K)
inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113317openalex-snapshot
Reduction of sulfur dioxide using superalkalis: A theoretical perspective
inferred← citeshttps://doi.org/10.1016/j.comptc.2023.114078openalex-snapshot
Nonlinear optical properties of superalkali@teetotum boron clusters with potential applications on the electro-optic modulator
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114611openalex-snapshot
Self-assembled crown ether (15CR5) with alkaline earth metals to stimulate nonlinear optical properties: The comprehensive study by silico technique
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.02.010openalex-snapshot
OLi3O− anion: Designing the strongest base to date using OLi3 superalkali
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.05.039openalex-snapshot
Prediction of superalkali@C60 endofullerenes, their enhanced stability and interesting properties
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.06.081openalex-snapshot
Modification of alkali metals on silicon-based nanoclusters: An enhanced nonlinear optical response
inferred← citeshttps://doi.org/10.1016/j.cplett.2017.05.070openalex-snapshot
Superalkali@C60−superhalogen: Structure and nonlinear optical properties of a new class of endofullerene complexes
inferred← citeshttps://doi.org/10.1016/j.cplett.2018.02.029openalex-snapshot
Reduction of nitrogen oxides (NO ) by superalkalis
inferred← citeshttps://doi.org/10.1016/j.cplett.2018.09.023openalex-snapshot
Alkaline-earthide: A new class of excess electron compounds Li-C6H6F6-M (M = Be, Mg and Ca) with extremely large nonlinear optical responses
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.02.021openalex-snapshot
Ab initio investigations on non-metallic chain-shaped F H+1+ series of superalkali cations
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137094openalex-snapshot
Potassium iodide cluster based superhalogens and superalkalis: Theoretical calculations and experimental confirmation
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.138049openalex-snapshot
Ab initio investigations on bimetallic mononuclear superalkali clusters
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138508openalex-snapshot
K+KCO8- : An antipodal crystalline salt of alkalide KC222+K-
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138770openalex-snapshot
1-Alkyl-3-methylimidazolium belong to superalkalis
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139352openalex-snapshot
X(CH3)+1+ superalkali cations (X = F, O and N) with methyl ligands
inferred← citeshttps://doi.org/10.1016/j.heliyon.2023.e17610openalex-snapshot
A three orders of magnitude increase in nonlinear optical response by external electric field on Cryptand[2.2.2] (C222) based alkaline earthides
inferred← citeshttps://doi.org/10.1016/j.heliyon.2023.e21508openalex-snapshot
Alkali metals doped cycloparaphenylene nanohoops: Promising nonlinear optical materials with enhanced performance
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2021.05.023openalex-snapshot
Computational evaluation of superalkali-decorated graphene nanoribbon as advanced hydrogen storage materials
inferred← citeshttps://doi.org/10.1016/j.ijleo.2017.01.096openalex-snapshot
How the alkali metal atoms affect electronic structure and the nonlinear optical properties of C24N24 nanocage
inferred← citeshttps://doi.org/10.1016/j.ijleo.2017.10.100openalex-snapshot
Structures and nonlinear optical properties of alkali atom/superalkali doped pyridinic vacancy graphene
inferred← citeshttps://doi.org/10.1016/j.ijleo.2018.03.124openalex-snapshot
Effect of (super) alkali doping and boron substitution on the nonlinear optical property of biphenalenyl diradical π dimer: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.ijleo.2020.166037openalex-snapshot
Theoretical investigation of superalkali clusters M2OCN and M2NCO (where M=Li, Na, K) as excess electron system with significant static and dynamic nonlinear optical response
inferred← citeshttps://doi.org/10.1016/j.jallcom.2017.12.075openalex-snapshot
Decorating Zintl polyanions with alkali metal cations: A novel strategy to design superatom cations with low electron affinity
inferred← citeshttps://doi.org/10.1016/j.jallcom.2020.155301openalex-snapshot
Theoretical and experimental study of small potassium-bromide K Br(0,1+) (n = 2–6) and K Br(0,1+) (n = 3–5) clusters
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O H2+1+ clusters: A new series of non-metallic superalkali cations by trapping H3O+ into water
inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107668openalex-snapshot
Janus alkaline earthides with excellent NLO response from sodium and potassium as source of excess electrons; a first principles study
inferred← citeshttps://doi.org/10.1016/j.jmgm.2021.108031openalex-snapshot
Extremely large static and dynamic nonlinear optical response of small superalkali clusters NM3M’ (M, M’=Li, Na, K)
inferred← citeshttps://doi.org/10.1016/j.jmgm.2022.108204openalex-snapshot
Remarkable non-linear optical properties of gold cluster doped graphyne (GY): A DFT study
inferred← citeshttps://doi.org/10.1016/j.jmgm.2023.108505openalex-snapshot
Quantum Chemical Approach of Hexaammine (NH3)6 complexant with alkali and alkaline earth metals for their potential use as NLO materials
inferred← citeshttps://doi.org/10.1016/j.jmgm.2024.108791openalex-snapshot
Theoretical design of alkaline earthides M+(36 adz) Be− (M+ = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) with excellent nonlinear optical response and ultraviolet transparency
inferred← citeshttps://doi.org/10.1016/j.jpcs.2021.110361openalex-snapshot
Face specific doping of Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane with superalkalis and alkaline earth metals leads to enhanced static and dynamic NLO responses
inferred← citeshttps://doi.org/10.1016/j.molliq.2018.12.128openalex-snapshot
Graphdiyne: A promising nonlinear optical material modulated by tetrahedral alkali-metal nitrides
inferred← citeshttps://doi.org/10.1016/j.molliq.2019.111899openalex-snapshot
Extremely large nonlinear optical response and excellent electronic stability of true alkaline earthides based on hexaammine complexant
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.123331openalex-snapshot
Nonlinear optical response of facially polarized all cis-1,3,5-trifluorocyclohexane doped with transition metals and calcium
inferred← citeshttps://doi.org/10.1016/j.molstruc.2022.133161openalex-snapshot
Synthesis, XRD/HSA-interactions, biological activity, optical and nonlinear optical responses studies of new pyran derivative
inferred← citeshttps://doi.org/10.1016/j.mssp.2021.105986openalex-snapshot
Zintl based superatom P7M2 (M=Li, Na, K & Be, Mg, Ca) clusters with excellent second and third-order nonlinear optical response
inferred← citeshttps://doi.org/10.1016/j.mssp.2021.106122openalex-snapshot
First example of lanthanum as dopant on Al12N12 and Al12P12 nanocages for improved electronic and nonlinear optical properties with high stability
inferred← citeshttps://doi.org/10.1016/j.mssp.2021.106254openalex-snapshot
Superalkali-based alkalides Li3O@[12-crown-4]M (where M= Li, Na, and K) with remarkable static and dynamic NLO properties; A DFT study
inferred← citeshttps://doi.org/10.1016/j.mssp.2022.106518openalex-snapshot
Superalkali (Li2F, Li3F) doped Al12N12 electrides with enhanced static, dynamic nonlinear optical responses and refractive indices
inferred← citeshttps://doi.org/10.1016/j.mssp.2022.107119openalex-snapshot
Theoretical study of 36Adz based alkaline earthides M+(36Adz)M− (M+ = Li & Na; M− = Be, Mg & Ca) with remarkable nonlinear optical response
inferred← citeshttps://doi.org/10.1016/j.mssp.2023.107506openalex-snapshot
Transition metals based metalides TM-Janus-TM (where TM=Sc–Zn and Janus=F6C6H6); A theoretical study of nonconventional metalides with excellent static and dynamic nonlinear optical properties
inferred← citeshttps://doi.org/10.1016/j.mssp.2023.108099openalex-snapshot
Li+(3)Mg−: A new alkaline earthide with large nonlinear optical response
inferred← citeshttps://doi.org/10.1016/j.mssp.2024.108995openalex-snapshot
Unveiling the role of superalkali dopants in augmented nonlinear optical response of C13H10F12 Janus molecule – A DFT study
inferred← citeshttps://doi.org/10.1016/j.physe.2022.115170openalex-snapshot
M@[12-crown-4] and M@[15-crown-5] where (M=Li, Na, and K); the very first examples of non-conventional one alkali metal-containing alkalides with remarkable static and dynamic NLO response
inferred← citeshttps://doi.org/10.1016/j.poly.2021.115145openalex-snapshot
Exploring Li4N and Li4O superalkalis as efficient dopants for the Al12N12 nanocage to design high performance nonlinear optical materials with high thermodynamic stability
inferred← citeshttps://doi.org/10.1016/j.poly.2022.116119openalex-snapshot
The Alkaline-earthides based parallel-stacked dimer and trimer of Janus face C6H6F6 showing extremely large nonlinear optical responses
inferred← citeshttps://doi.org/10.1016/j.radphyschem.2021.109457openalex-snapshot
Influence of bi-alkali metals doping over Al12N12 nanocage on stability and optoelectronic properties: A DFT investigation
inferred← citeshttps://doi.org/10.1016/j.surfin.2025.106059openalex-snapshot
Alkali Metal-adsorbed Graphyne and Graphdiyne (M@GY, M&GDY, M=Li or Na) as high-performance SP3T or 3P3T Near- and Mid-Far-infrared NLO molecular switches: A theoretical study
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.0c03453openalex-snapshot
Lithiated Graphene Quantum Dot and its Nonlinear Optical Properties Modulated by a Single Alkali Atom: A Theoretical Perspective
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.7b00183openalex-snapshot
Can Coinage Metal Atoms Be Capable of Serving as an Excess Electron Source of Alkalides with Considerable Nonlinear Optical Responses?
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c08440openalex-snapshot
Transformation of Distinct Superatoms to Superalkalis by Successive Ligation of Thymine Nucleobases
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b08548openalex-snapshot
Theoretical Descriptors of Electrides
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b01896openalex-snapshot
Superatom Compounds under Oriented External Electric Fields: Simultaneously Enhanced Bond Energies and Nonlinear Optical Responses
inferred← citeshttps://doi.org/10.1021/acs.organomet.1c00674openalex-snapshot
On the Possibility of Using Aza-Cryptands to Design Superalkalis
inferred← citeshttps://doi.org/10.1021/acs.organomet.2c00193openalex-snapshot
Designing Magnetic Superalkalis with Extremely Large Nonlinear Optical Responses
inferred← citeshttps://doi.org/10.1021/acs.organomet.2c00476openalex-snapshot
Alkali-Metal-Free Coinage Metalides: Specific Pairing and Location of Doping Atoms Bring Forth High Stability and Considerable Nonlinear Optical Response
inferred← citeshttps://doi.org/10.1021/acs.organomet.7b00491openalex-snapshot
Designing Alkalides with Considerable Nonlinear Optical Responses and High Stability Based on the Facially Polarized Janus all - cis -1,2,3,4,5,6-Hexafluorocyclohexane
inferred← citeshttps://doi.org/10.1021/acsaom.6c00087openalex-snapshot
Computational Study of Superalkali-Driven Enhancement of Nonlinear Optical Activity in Carbon Nanohoops
inferred← citeshttps://doi.org/10.1021/acsomega.1c04395openalex-snapshot
Novel and Polynuclear K- and Na-Based Superalkali Hydroxides as Superbases Better Than Li-Related Species and Their Enhanced Properties: An Ab Initio Exploration
inferred← citeshttps://doi.org/10.1021/acsomega.3c05791openalex-snapshot
Theoretical Study of Dodecafluorophenylene-Based Superalkalides with Significantly High NLO Response
inferred← citeshttps://doi.org/10.1039/c5cp03635fopenalex-snapshot
A novel class of compounds—superalkalides: M + (en) 3 M 3 ′O − (M, M′ = Li, Na, and K; en = ethylenediamine)—with excellent nonlinear optical properties and high stabilities
inferred← citeshttps://doi.org/10.1039/c6cp02134dopenalex-snapshot
Optical response and gas sequestration properties of metal cluster supported graphene nanoflakes
inferred← citeshttps://doi.org/10.1039/c6cp05345aopenalex-snapshot
The explicit examination of the magnetic states of electrides
inferred← citeshttps://doi.org/10.1039/c6dt00342gopenalex-snapshot
A theoretical study on superalkali-doped nanocages: unique inorganic electrides with high stability, deep-ultraviolet transparency, and a considerable nonlinear optical response
inferred← citeshttps://doi.org/10.1039/c7cp00882aopenalex-snapshot
Thermodynamic cycles of the alkali metal–ligand complexes central to electride formation
inferred← citeshttps://doi.org/10.1039/c7cp04764aopenalex-snapshot
Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M–(C 2 NH 5 ) n
inferred← citeshttps://doi.org/10.1039/c7nj04971dopenalex-snapshot
Transition metal doping: a new and effective approach for remarkably high nonlinear optical response in aluminum nitride nanocages
inferred← citeshttps://doi.org/10.1039/c8cp04014aopenalex-snapshot
Density-functional description of alkalides: introducing the alkalide state
inferred← citeshttps://doi.org/10.1039/c8tc02146eopenalex-snapshot
Design of novel graphdiyne-based materials with large second-order nonlinear optical properties
inferred← citeshttps://doi.org/10.1039/c8tc05392hopenalex-snapshot
Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations
inferred← citeshttps://doi.org/10.1039/c9cp06894eopenalex-snapshot
Coinage metalides: a new class of excess electron compounds with high stability and large nonlinear optical responses
inferred← citeshttps://doi.org/10.1039/c9nj00225aopenalex-snapshot
Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical response
inferred← citeshttps://doi.org/10.1039/c9nj05065eopenalex-snapshot
Exceptionally high NLO response and deep ultraviolet transparency of superalkali doped macrocyclic oligofuran rings
inferred← citeshttps://doi.org/10.1039/c9ra02470kopenalex-snapshot
A nonlinear optical switch induced by an external electric field: inorganic alkaline–earth alkalide
inferred← citeshttps://doi.org/10.1039/d0cp03769aopenalex-snapshot
Unveiling the potential of superalkali cation Li 3 + for capturing nitrogen
inferred← citeshttps://doi.org/10.1039/d0nj00896fopenalex-snapshot
Designing a new class of excess electron compounds with unique electronic structures and extremely large non-linear optical responses
inferred← citeshttps://doi.org/10.1039/d0nj01670eopenalex-snapshot
Remarkable second and third order nonlinear optical properties of organometallic C 6 Li 6 –M 3 O electrides
inferred← citeshttps://doi.org/10.1039/d0nj02291hopenalex-snapshot
Superhalogen doping: a new and effective approach to design materials with excellent static and dynamic NLO responses
inferred← citeshttps://doi.org/10.1039/d0ra08099copenalex-snapshot
Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-]thiophene complexes; a DFT approach
inferred← citeshttps://doi.org/10.1039/d0ra08571eopenalex-snapshot
Endohedral metallofullerene electrides of Ca 12 O 12 with remarkable nonlinear optical response
inferred← citeshttps://doi.org/10.1039/d1cp01533hopenalex-snapshot
Designing an alkali-metal-like superatom Ca 3 B for ambient nitrogen reduction to ammonia
inferred← citeshttps://doi.org/10.1039/d1ra08192fopenalex-snapshot
Germanium-based superatom clusters as excess electron compounds with significant static and dynamic NLO response; a DFT study
inferred← citeshttps://doi.org/10.1039/d1tc03337aopenalex-snapshot
From an electride-like super alkali earth atom to a superalkalide or superalkali electride: M(HF) 3 M (M = Na or Li) as field-induced excellent inorganic NLO molecular switches
inferred← citeshttps://doi.org/10.1039/d2cp04842fopenalex-snapshot
Transition metalides based on facially polarized all- cis -1,2,3,4,5,6-hexafluorocyclohexane – a new class of high performance second order nonlinear optical materials
inferred← citeshttps://doi.org/10.1039/d2dt00321jopenalex-snapshot
Mixed superalkalis are a better choice than pure superalkalis for B 12 N 12 nanocages to design high-performance nonlinear optical materials
inferred← citeshttps://doi.org/10.1039/d2nj03671aopenalex-snapshot
Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation
inferred← citeshttps://doi.org/10.1039/d4cp03890hopenalex-snapshot
Optimization of nonlinear properties of C 6 O 6 Li 6 -doped alkalides via group I/III doping for unprecedented charge transfer and advancements in optoelectronics
inferred← citeshttps://doi.org/10.1039/d4ra08399gopenalex-snapshot
Rational design of superalkali-based novel calix[4]pyridine alkalides as high performance nonlinear optical materials
inferred← citeshttps://doi.org/10.1039/d5cp03165fopenalex-snapshot
On the diffusion mechanism of some superalkali metal clusters adsorbed on single-layered boron nitride flakes
inferred← citeshttps://doi.org/10.1039/d5dt01513hopenalex-snapshot
Nonlinear optical functionalized Cu( ii ) coordination complexes with chiral ligands: design, structural elucidation, and theoretical investigation
inferred← citeshttps://doi.org/10.1039/d5nj00477bopenalex-snapshot
Exploring the first and second hyperpolarizabilities of l -glutamine-based Schiff base ligands and their Cu( ii ) coordination complexes
inferred← citeshttps://doi.org/10.1039/d5nj00827aopenalex-snapshot
Improving excited-state dynamic properties with the help of metalide character and excess electrons: earlier transition-metal pairing with superalkali clusters
inferred← citeshttps://doi.org/10.1039/d6nj01656aopenalex-snapshot
Exceptional first hyperpolarizabilities in superalkali-functionalized Janus dimers through alkaline earth metal doping
inferred← citeshttps://doi.org/10.1039/d6ra02261hopenalex-snapshot
Transition metal-induced excess electron localization driving the giant first hyperpolarizability in alkaline earthides: a DFT and TD-DFT study
inferred← citeshttps://doi.org/10.1063/1.4958829openalex-snapshot
Potential energy surfaces of the electronic states of Li2F and Li2F−
inferred← citeshttps://doi.org/10.1063/1.4967461openalex-snapshot
On the feasibility of designing hyperalkali cations using superalkali clusters as ligands
inferred← citeshttps://doi.org/10.1080/00268976.2019.1615648openalex-snapshot
( x = 1–5): a unique series of organic superalkali cations
inferred← citeshttps://doi.org/10.1080/00268976.2020.1730991openalex-snapshot
MC6Li6 (M = Li, Na and K): a new series of aromatic superalkalis
inferred← citeshttps://doi.org/10.1080/00268976.2021.1909161openalex-snapshot
Decorating electron redundant SinAl12–nN12 (n = 1, 2) nanocages with superalkalis M3O (M = Li, Na, K): excess electron D-A frameworks and nonlinear optical properties
inferred← citeshttps://doi.org/10.1080/08927022.2024.2390948openalex-snapshot
Engineering novel alkalides with superalkali clusters: Ab initio insights into nonlinear optical responses
inferred← citeshttps://doi.org/10.1080/10406638.2023.2219363openalex-snapshot
Surface Functionalization of Sulflower with Superhalogens Doping to Achieve Robustly Large Nonlinear Optical Response: Interactive Design Computation of New NLO Materials for Modern Electro-Optic Applications
inferred← citeshttps://doi.org/10.1088/1402-4896/aca9a2openalex-snapshot
Theoretical study of [3 6 ]adamanzane (3 6 Adz) based alkalides with remarkable non-linear optical properties
inferred← citeshttps://doi.org/10.1088/1402-4896/ad4d23openalex-snapshot
Nonlinear optical properties of KnCl (n = 2–7) superalkali clusters
inferred← citeshttps://doi.org/10.1088/1402-4896/ad6354openalex-snapshot
Change in nonlinear optical response of C24 nanocage upon doping with lithium based superalkalis
inferred← citeshttps://doi.org/10.1088/1674-1056/25/9/094220openalex-snapshot
Influence of alkali metal superoxides on structure, electronic, and optical properties of Be12O12nanocage: Density functional theory study
inferred← citeshttps://doi.org/10.1088/2516-1075/adb229openalex-snapshot
Exploring the superalkali regime: ab initio analysis of F n M n +1 + cationic clusters (M = Li, Na, K; n = 1−7)
inferred← citeshttps://doi.org/10.1134/s0036024422130118openalex-snapshot
Chemical Reactivity, Topological Analysis, and Second-Order Nonlinear Optical Responses of M3O@Al12N12: A Quantum Chemical Study
inferred← citeshttps://doi.org/10.1134/s0036024422140291openalex-snapshot
Theoretical Study on Nonlinear Optical Properties of M3-Phenalenyl and M3O-Phenalenyl (M = Li, Na, K) Molecules
inferred← citeshttps://doi.org/10.1134/s0036024425702474openalex-snapshot
Ultra-Large Nonlinear Optical Properties of Boron and Nitrogen Co-Doped Graphdiyne: The Role of the Alkalides
inferred← citeshttps://doi.org/10.1140/epjp/s13360-022-02971-6openalex-snapshot
Theoretical investigation of lithium-based clusters Lin (where n = 3, 5, 7) with remarkable electronic and frequency-dependent NLO properties
inferred← citeshttps://doi.org/10.1142/s0217984924504153openalex-snapshot
Enhanced nonlinear optical responses of doped superalkali metal salts with fluorinated/non-fluorinated planar boron sheets: A theoretical study
inferred← citeshttps://doi.org/10.1515/zna-2023-0177openalex-snapshot
Nonlinear optical response of Li n ClK (n = 1–6) superalkali clusters
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1003297/v1openalex-snapshot
Unravelling the Effect of Complexant Number on Remarkably High Static and Dynamic Second Hyperpolarizability of Aziridine Based Diffuse Electron Systems: A Theoretical Study
inferred← citeshttps://doi.org/10.3389/fchem.2022.1019166openalex-snapshot
Recent advances in in silico design and characterization of superalkali-based materials and their potential applications: A review
inferred← citeshttps://doi.org/10.3389/fchem.2022.853160openalex-snapshot
Designing Special Nonmetallic Superalkalis Based on a Cage-like Adamanzane Complexant
inferred← citeshttps://doi.org/10.3389/fmats.2021.783239openalex-snapshot
A Theoretical Perspective on Strategies for Modeling High Performance Nonlinear Optical Materials
inferred← citeshttps://doi.org/10.3389/fphy.2022.870205openalex-snapshot
Superalkalis for the Activation of Carbon Dioxide: A Review
inferred← citeshttps://doi.org/10.3390/ma16093447openalex-snapshot
Rational Design, Stabilities and Nonlinear Optical Properties of Non-Conventional Transition Metalides; New Entry into Nonlinear Optical Materials
inferred← citeshttps://doi.org/10.3390/nano7070184openalex-snapshot
Effect of Alkali Metal Atoms Doping on Structural and Nonlinear Optical Properties of the Gold-Germanium Bimetallic Clusters
inferred← citeshttps://doi.org/10.70675/7ff71f25ze52fz4c1bz9fc3zfdcdec3dde17openalex-snapshot
Theory on lower bound energy and quantum chemical study of the interaction between lithium clusters and fluorine/fluoride
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