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Ab initio study of superalkalis. First ionization potentials and thermodynamic stability

https://doi.org/10.1021/ic00049a022
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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/(sici)1097-461x(1997)61:6<953::aid-qua8>3.0.co;2-vopenalex-snapshot
An ab initio study of the structure, dissociation energy, and heat of formation of Na2S
inferred← citeshttps://doi.org/10.1002/9781119619574.ch12openalex-snapshot
Clusters for CO 2 Activation and Conversion
inferred← citeshttps://doi.org/10.1002/9781119619574.ch9openalex-snapshot
Superatom‐Based Ferroelectrics
inferred← citeshttps://doi.org/10.1002/aoc.4654openalex-snapshot
Tuning the electronic‐optical properties of porphyrin‐like porous C24N24 fullerene with (Li3O)n = (1–5) decoration. A computational study
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.202304223openalex-snapshot
Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study
inferred← citeshttps://doi.org/10.1002/chin.199306001openalex-snapshot
ChemInform Abstract: Ab initio Study of Superalkalis. First Ionization Potentials and Thermodynamic Stability
inferred← citeshttps://doi.org/10.1002/cjoc.200690285openalex-snapshot
Structure and Stability of Endohedral Complexes X@(HBNH)12
inferred← citeshttps://doi.org/10.1002/cphc.200600014openalex-snapshot
Novel Superalkali Superhalogen Compounds (Li3)+(SH)− (SH=LiF2, BeF3, and BF4) with Aromaticity: New Electrides and Alkalides
inferred← citeshttps://doi.org/10.1002/cphc.200900714openalex-snapshot
Inside a Superatom: The M7q (M=Cu, Ag, q=1+, 0, 1−) Case
inferred← citeshttps://doi.org/10.1002/cphc.201900422openalex-snapshot
Record Low Ionization Potentials of Alkali Metal Complexes with Crown Ethers and Cryptands
inferred← citeshttps://doi.org/10.1002/jcc.24796openalex-snapshot
A theoretical investigation on doping superalkali for triggering considerable nonlinear optical properties of Si12C12 nanostructure
inferred← citeshttps://doi.org/10.1002/jcc.25097openalex-snapshot
Host–guest interactions between octa acid and cations/nucleobases
inferred← citeshttps://doi.org/10.1002/jccs.199400066openalex-snapshot
Ab Initio Calculations of Structure and Energetics of the Hypermetalated Hydrogen Oxide Molecules: Li2NaOH and LiNa2OH
inferred← citeshttps://doi.org/10.1002/jms.3001openalex-snapshot
Formation of positive cluster ions LinBr (n = 2–7) and ionization energies studied by thermal ionization mass spectrometry
inferred← citeshttps://doi.org/10.1002/jms.3076openalex-snapshot
Study of small chlorine‐doped potassium clusters by thermal ionization mass spectrometry
inferred← citeshttps://doi.org/10.1002/open.202300253openalex-snapshot
Interaction of N 2 , O 2 and H 2 Molecules with Superalkalis
inferred← citeshttps://doi.org/10.1002/qua.23053openalex-snapshot
Structural properties and nonlinear optical responses of superatom compounds BF4‐M (M = Li, FLi2, OLi3, NLi4)
inferred← citeshttps://doi.org/10.1002/qua.24542openalex-snapshot
Theoretical investigation of geometry and stability of small lithium-iodide LinI (n= 2-6) clusters
inferred← citeshttps://doi.org/10.1002/qua.24878openalex-snapshot
Theoretical insights and design of intriguing nonlinear optical species involving the excess electron
inferred← citeshttps://doi.org/10.1002/qua.25075openalex-snapshot
Structures and basicity of LiNOH (N = 1 − 5) species
inferred← citeshttps://doi.org/10.1002/qua.25507openalex-snapshot
Alkalized borazine: A simple recipe to design closed‐shell superalkalis
inferred← citeshttps://doi.org/10.1002/qua.26009openalex-snapshot
Theoretical and experimental investigation of geometry and stability of small potassium‐iodide KnI (n = 2–6) clusters
inferred← citeshttps://doi.org/10.1002/rcm.2712openalex-snapshot
Ionization energies of Li n X (n = 2, 3; X = Cl, Br, I) molecules
inferred← citeshttps://doi.org/10.1002/rcm.5128openalex-snapshot
Ionization energies of K 2 X (X = F, Cl, Br, I) clusters
inferred← citeshttps://doi.org/10.1002/rcm.6122openalex-snapshot
Formation and ionization energies of small chlorine‐doped lithium clusters by thermal ionization mass spectrometry
inferred← citeshttps://doi.org/10.1002/rcm.6284openalex-snapshot
Production and ionization energies of K n F (n = 2–6) clusters by thermal ionization mass spectrometry
inferred← citeshttps://doi.org/10.1002/rcm.896openalex-snapshot
Ionization energies of hypervalent Li 2 F, Li 2 Cl and Na 2 Cl molecules obtained by surface ionization electron impact neutralization mass spectrometry
inferred← citeshttps://doi.org/10.1002/slct.202502403openalex-snapshot
B 3 N 3 Li 6 ‐ n H 2 Complexes: A Computational Breakthrough in High‐Capacity and Stable Hydrogen Storage Systems
inferred← citeshttps://doi.org/10.1007/978-3-642-60854-4_105openalex-snapshot
Ab-initio study of structural and optical properties of nonstoichiometric alkalimetal- oxides
inferred← citeshttps://doi.org/10.1007/bf02840798openalex-snapshot
Electronic structure of X2 Y3 molecules (X = B, Al, Ga; Y = O,S): A theoretical study
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/s004600050248openalex-snapshot
Ab-initio study of structural and optical properties of nonstoichiometric alkalimetal- oxides
inferred← citeshttps://doi.org/10.1007/s00894-012-1685-8openalex-snapshot
Effect of superalkali substituents on the strengths and properties of hydrogen and halogen bonds
inferred← citeshttps://doi.org/10.1007/s00894-013-2041-3openalex-snapshot
(Super)alkali atoms interacting with the σ electron cloud: a novel interaction mode triggers large nonlinear optical response of M@P4 and M@C3H6 (M=Li, Na, K and Li3O)
inferred← citeshttps://doi.org/10.1007/s00894-015-2849-0openalex-snapshot
Nonlinear optical behavior of Li n F (n = 2–5) superalkali clusters
inferred← citeshttps://doi.org/10.1007/s00894-016-2955-7openalex-snapshot
Attaching an alkali metal atom to an alkaline earth metal oxide (BeO, MgO, or CaO) yields a triatomic metal oxide with reduced ionization potential and redirected polarity
inferred← citeshttps://doi.org/10.1007/s00894-016-2994-0openalex-snapshot
Hydrogenated superalkalis and their possible applications
inferred← citeshttps://doi.org/10.1007/s00894-018-3806-5openalex-snapshot
Zintl superalkalis as building blocks of supersalts
inferred← citeshttps://doi.org/10.1007/s00894-018-3901-7openalex-snapshot
Functionalization of the transition metal oxides FeO, CoO, and NiO with alkali metal atoms decreases their ionization potentials by 3–5 eV
inferred← citeshttps://doi.org/10.1007/s10876-020-01810-xopenalex-snapshot
A Density Functional Investigation on LinI (n = 1–8) Clusters
inferred← citeshttps://doi.org/10.1007/s10876-023-02461-4openalex-snapshot
The Possible Superalkali Clusters Lin+1Fn (n = 2 ~ 17)
inferred← citeshttps://doi.org/10.1007/s10904-010-9363-8openalex-snapshot
Structures, Stabilities and Electronic Properties of Endo- and Exohedral Dodecahedral Silsesquioxane (T12-POSS) Nanosized Complexes with Atomic and Ionic Species
inferred← citeshttps://doi.org/10.1007/s11224-025-02492-9openalex-snapshot
Si(IV) cationic superalkalis: [SiCl3(LR3)2]
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/s42250-023-00739-8openalex-snapshot
Variation in Structural Chemical Reactivity and Nonlinear Optical (NLO) Properties of C56H16 Nanotube After Endohedral Doping of Superalkali (Na2F) and Superhalogen (BF4): A DFT Study
inferred← citeshttps://doi.org/10.1007/s42452-020-2080-1openalex-snapshot
Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis
inferred← citeshttps://doi.org/10.1016/0009-2614(95)01158-4openalex-snapshot
MRD-CI study of the electronic spectrum of Na2Cl
inferred← citeshttps://doi.org/10.1016/0301-0104(93)87002-5openalex-snapshot
Green function calculation of ionization energies of hypermetallic molecules
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.chemphys.2011.04.018openalex-snapshot
Neutral and anionic superhalogen hydroxides
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.comptc.2013.03.002openalex-snapshot
Superalkali Li3M (M=Cl, Br, I) as a Lewis base in halogen bonding: A heavier halogen is a stronger Lewis base than a lighter halogen
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.06.026openalex-snapshot
Attractive Xe–Li interaction in Li-decorated clusters
inferred← citeshttps://doi.org/10.1016/j.comptc.2022.113639openalex-snapshot
Imidazolium based superalkalis as building block for Lewis base
inferred← citeshttps://doi.org/10.1016/j.cplett.2007.09.082openalex-snapshot
Experimental and theoretical investigation of new hypervalent molecules Li F (n= 2–4)
inferred← citeshttps://doi.org/10.1016/j.cplett.2010.05.058openalex-snapshot
A strongly bound OF 3 - anion and its unstable parent neutral OF3 species
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.11.086openalex-snapshot
Theoretical and experimental study of the non-stoichiometric Li I (n= 3 and 5) clusters
inferred← citeshttps://doi.org/10.1016/j.cplett.2013.04.080openalex-snapshot
Theoretical study of substitution effect in superalkali OM3 (M = Li, Na, K)
inferred← citeshttps://doi.org/10.1016/j.cplett.2013.05.014openalex-snapshot
Do nonmetallic superalkali cations exist?
inferred← citeshttps://doi.org/10.1016/j.cplett.2015.09.046openalex-snapshot
Ab initio prediction of novel alkalides FLi2–M–Li2F (M = Li, Na and K)
inferred← citeshttps://doi.org/10.1016/j.cplett.2015.11.027openalex-snapshot
Superbases and superacids form supersalts
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.2017.08.026openalex-snapshot
Static second hyperpolarizability of diffuse electron compound M2X (M = Li, na; X = H, F): Ab-initio study of basis set effect and electron correlation
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.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.2020.138049openalex-snapshot
Ab initio investigations on bimetallic mononuclear superalkali clusters
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.140181openalex-snapshot
Halogenation lowers the electron affinity: A novel approach to design superalkali cationic clusters
inferred← citeshttps://doi.org/10.1016/j.est.2024.114947openalex-snapshot
Superalkali OLi3 anchored biphenylene for hydrogen storage: Acumen from first-principles study
inferred← citeshttps://doi.org/10.1016/j.ica.2024.121998openalex-snapshot
Exploring the bonding and aromaticity of [Au3{C2H2N2E(L)2}3]+ (E = Si, Ge and L = –CH3, -H, -CF3, –NO2): Trinuclear gold superalkali complexes
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2024.08.092openalex-snapshot
Superalkali NLi4 anchored on g-C3N4 sheet for reversible hydrogen storage
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
inferred← citeshttps://doi.org/10.1016/j.jece.2020.104787openalex-snapshot
Removal of toxic heavy metal ions from waste water using superchalcogens: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.jics.2021.100065openalex-snapshot
Aromatic N-Heterocyclic superalkali M@C4H4N2 complexes (M=Li, Na, K); A promising potential hydrogen storage system
inferred← citeshttps://doi.org/10.1016/j.jmgm.2019.02.010openalex-snapshot
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.2020.107573openalex-snapshot
Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response
inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107765openalex-snapshot
DFT and QTAIM studies on the reduction of carbon monoxide by superalkalis
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.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.2025.117862openalex-snapshot
Computational exploitation of O Li2+1+ (n = 1–5): A new oxygen-centred series of superalkali clusters
inferred← citeshttps://doi.org/10.1016/s0009-2614(00)00260-8openalex-snapshot
Production of hyperlithiated Li2F by a laser ablation of LiF–Li3N mixture
inferred← citeshttps://doi.org/10.1016/s0009-2614(00)01109-xopenalex-snapshot
Ionization energies of hyperlithiated Li2F molecule and Li F−1 (n=3,4) clusters
inferred← citeshttps://doi.org/10.1016/s0040-6031(97)00146-9openalex-snapshot
Thermodynamic stability and optimized structures of hypervalent molecules M2CN (M = Li, Na, K)
inferred← citeshttps://doi.org/10.1016/s0166-1280(01)00655-8openalex-snapshot
Theoretical study on the geometric and electronic structure of the lithium-rich LinFn−1 (n=2–5) clusters
inferred← citeshttps://doi.org/10.1016/s0166-1280(99)00005-6openalex-snapshot
Structure and stability of Li2F
inferred← citeshttps://doi.org/10.1016/s0301-0104(99)00076-2openalex-snapshot
An ab initio molecular orbital study of the electronic spectrum and dissociation features of Li2F
inferred← citeshttps://doi.org/10.1016/s0375-9601(00)00643-5openalex-snapshot
Two-step liquid drop model for binary, metal-rich clusters
inferred← citeshttps://doi.org/10.1016/s1387-3806(98)14106-4openalex-snapshot
Near thermal energy collisions with fullerenes: a generally applicable soft ionization method for low IP molecules?
inferred← citeshttps://doi.org/10.1016/s1387-3806(98)14234-3openalex-snapshot
Hypermetallic dilithium fluoride, Li2F, and its cation and anion: a combined dissociation and charge permutation study
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.0c01871openalex-snapshot
Distinctive Characteristics of Al7Li: A Superatom Counterpart of Group IVA Elements
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.8b01322openalex-snapshot
Design of a Novel Series of Donor–Acceptor Frameworks via Superalkali–Superhalogen Assemblage to Improve the Nonlinear Optical Responses
inferred← citeshttps://doi.org/10.1021/acs.jctc.6c00105openalex-snapshot
Multi-Objective Optimization of Conceptual DFT Reactivity Descriptors in Open-Shell Radicals by Reinforcement Learning
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b05958openalex-snapshot
Assemblage of Superalkali Complexes with Ever Low-Ionization Potentials
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b07848openalex-snapshot
Design of New Complexes of Inorganic Salts Based on Lithium and Magnesium Hydroxides and Carbonates for Usage as Propellants and Flame Retardants
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b10555openalex-snapshot
Does Alkaline-Earth-Metal-Based Superalkali Exist?
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b02775openalex-snapshot
Magnetic Hyperalkali Species of Gd-Based Clusters
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5b01182openalex-snapshot
Quantum Chemical Insight into the LiF Interlayer Effects in Organic Electronics: Reactions between Al Atom and LiF Clusters
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/acsaem.5c00897openalex-snapshot
Efficient Hydrogen Storage in Superalkali NLi4-Decorated Boron Phosphide Biphenylene
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.5c06027openalex-snapshot
Reversible Hydrogen Storage Properties of Superalkali NLi 4 -Decorated Inorganic Graphenylene SiC
inferred← citeshttps://doi.org/10.1021/ic202675jopenalex-snapshot
Theoretical Study on Polynuclear Superalkali Cations with Various Functional Groups as the Central Core
inferred← citeshttps://doi.org/10.1021/ic500655sopenalex-snapshot
On the Potential Application of Superalkali Clusters in Designing Novel Alkalides with Large Nonlinear Optical Properties
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1021/ja0345470openalex-snapshot
On the Viability of Small Endohedral Hydrocarbon Cage Complexes: X@C4H4, X@C8H8, X@C8H14, X@C10H16, X@C12H12, and X@C16H16
inferred← citeshttps://doi.org/10.1021/ja071647nopenalex-snapshot
Superatom Compounds, Clusters, and Assemblies: Ultra Alkali Motifs and Architectures
inferred← citeshttps://doi.org/10.1021/ja411755topenalex-snapshot
Lower the Electron Affinity by Halogenation: An Unusual Strategy To Design Superalkali Cations
inferred← citeshttps://doi.org/10.1021/jp000262nopenalex-snapshot
“Napoleon Hat” Structure of Tetraatomic Molecules. A Combined Photoelectron Spectroscopy and Ab Initio Study of CAlSi2- and Its Neutral
inferred← citeshttps://doi.org/10.1021/jp0017745openalex-snapshot
Chemistry of Vibronic Coupling. 3. How One Might Maximize Off-Diagonal Dynamic Vibronic Coupling Constants for Intervalence Charge-Transfer (IVCT) States in an ABA• System (A, B = Alkali Metal, H, Halogen)?
inferred← citeshttps://doi.org/10.1021/jp0037450openalex-snapshot
Structure of Hyperlithiated Li3O and Evidence for Electronomers
inferred← citeshttps://doi.org/10.1021/jp0122629openalex-snapshot
Beyond Classical Stoichiometry: Experiment and Theory
inferred← citeshttps://doi.org/10.1021/jp014471zopenalex-snapshot
Structures, Stabilities, and Ionization Potentials of Dodecahedrane Endohedral Complexes
inferred← citeshttps://doi.org/10.1021/jp068202qopenalex-snapshot
Structures, Stabilities, and Electronic Properties of Endo- and Exohedral Complexes of T10−Polyhedral Oligomeric Silsesquioxane Cages
inferred← citeshttps://doi.org/10.1021/jp071218bopenalex-snapshot
Structures and Static Electric Properties of Novel Alkalide Anions F-Li+Li- and F-Li3+Li3-
inferred← citeshttps://doi.org/10.1021/jp110417zopenalex-snapshot
Ab Initio Investigation on a New Class of Binuclear Superalkali Cations M2Li2k+1+ (F2Li3+, O2Li5+, N2Li7+, and C2Li9+)
inferred← citeshttps://doi.org/10.1021/jp4115095openalex-snapshot
Superalkalis and Superhalogens As Building Blocks of Supersalts
inferred← citeshttps://doi.org/10.1021/jp953617popenalex-snapshot
Why Are (MgO)n Clusters and Crystalline MgO So Reactive?
inferred← citeshttps://doi.org/10.1021/jp960829topenalex-snapshot
Structure and Stability of the Hypervalent Na2CN Molecule: An Experimental and ab Initio Study
inferred← citeshttps://doi.org/10.1021/jp994350nopenalex-snapshot
Na2O and Na2O+: Thermodynamics and Low-Lying Electronic States
inferred← citeshttps://doi.org/10.1038/s41467-021-21597-3openalex-snapshot
A family of ionic supersalts with covalent-like directionality and unconventional multiferroicity
inferred← citeshttps://doi.org/10.1039/b710536copenalex-snapshot
Prediction and characterization of a new kind of alkali–superhalogen species with considerable stability: MBeX3 (M = Li, Na; X = F, Cl, Br)
inferred← citeshttps://doi.org/10.1039/c2cp40794aopenalex-snapshot
The hydrogen trapping potential of some Li-doped star-like clusters and super-alkali systems
inferred← citeshttps://doi.org/10.1039/c2dt31429kopenalex-snapshot
Prediction and characterization of novel polynuclear superalkali cations
inferred← citeshttps://doi.org/10.1039/c3cp51443aopenalex-snapshot
Structures and nonlinear optical properties of the endohedral metallofullerene-superhalogen compounds Li@C60–BX4 (X = F, Cl, Br)
inferred← citeshttps://doi.org/10.1039/c3cp53639dopenalex-snapshot
Constructing (super)alkali–boron-heterofullerene dyads: an effective approach to achieve large first hyperpolarizabilities and high stabilities in M 3 O–BC 59 (M = Li, Na and K) and K@n-BC 59 (n = 5 and 6)
inferred← citeshttps://doi.org/10.1039/c3dt50224dopenalex-snapshot
Superalkali character of alkali-monocyclic (pseudo)oxocarbon clusters
inferred← citeshttps://doi.org/10.1039/c3dt51559aopenalex-snapshot
Theoretical study on superalkali (Li 3 ) in ammonia: novel alkalides with considerably large first hyperpolarizabilities
inferred← citeshttps://doi.org/10.1039/c3nj01600eopenalex-snapshot
Novel Li 3 X 3 supersalts (X = F, Cl, Br & I) and their alkalide characteristics
inferred← citeshttps://doi.org/10.1039/c4dt02347aopenalex-snapshot
Trivalent acid radical-centered YLi 4 + (Y = PO 4 , AsO 4 , VO 4 ) cations: new polynuclear species designed to enrich the superalkali family
inferred← citeshttps://doi.org/10.1039/c4ra06774fopenalex-snapshot
Unusual properties of novel Li 3 F 3 ring: (LiF 2 –Li 2 F) superatomic cluster or lithium fluoride trimer, (LiF) 3 ?
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/c5nj01259gopenalex-snapshot
Superalkali-hydroxides as strong bases and superbases
inferred← citeshttps://doi.org/10.1039/c5ra14735bopenalex-snapshot
Ab initio investigations on the gas phase basicity and nonlinear optical properties of FLi n OH species (n = 2–5)
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/c6cp04430aopenalex-snapshot
Organic heterocyclic molecules become superalkalis
inferred← citeshttps://doi.org/10.1039/c6nj00584eopenalex-snapshot
Remarkable NLO responses of hyperalkalized species: the size effect and atomic number dependence
inferred← citeshttps://doi.org/10.1039/c7cp04181kopenalex-snapshot
Structure and stability of small lithium-chloride Li n Cl m (0,1+) ( n ≥ m , n = 1–6, m = 1–3) clusters
inferred← citeshttps://doi.org/10.1039/c7dt03579aopenalex-snapshot
Ab initio analysis on potential superbases of several hyperlithiated species: Li 3 F 2 O and Li 3 F 2 OH n ( n = 1, 2)
inferred← citeshttps://doi.org/10.1039/c7ra12852eopenalex-snapshot
The behavior of the aluminum trimer when combining with different superatom clusters
inferred← citeshttps://doi.org/10.1039/c8nj06126bopenalex-snapshot
Design of the N n H 3n+1 + series of “non-metallic” superalkali cations
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/d1dt03577kopenalex-snapshot
Reactivity of the superhalogen/superalkali ion encapsulating C 60 fullerenes
inferred← citeshttps://doi.org/10.1039/d2cp00967fopenalex-snapshot
High electron affinity triggered by lithium coordination: quasi-chalcogen properties of Li 2 Sn 8 Be
inferred← citeshttps://doi.org/10.1039/d3cp05478kopenalex-snapshot
Chemical properties of superatomic Li 3 O clusters from a density functional theory perspective: formation of chloride and adsorption behavior on graphynes
inferred← citeshttps://doi.org/10.1039/d4cp03513eopenalex-snapshot
Exploring the properties of new super-chalcogens based on multiple electron counting rules: a combined DFT and ab initio study on [M(B 2 C 4 X 6 ) 2 ] 2− dianion clusters
inferred← citeshttps://doi.org/10.1039/d4ra02396jopenalex-snapshot
Superalkali nature of the Si 9 M 5 (M = Li, Na, and K) Zintl clusters: a theoretical study on electronic structure and dynamic nonlinear optical properties
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/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/10.1063/1.1476015openalex-snapshot
Theab initiopotential energy surface and vibrational–rotational energy levels of dilithium monoxide, Li2O
inferred← citeshttps://doi.org/10.1063/1.1607319openalex-snapshot
Visible and near-infrared photoabsorption spectrum of Li3O: Resonance enhanced two-photon ionization spectroscopy and ab initio calculations
inferred← citeshttps://doi.org/10.1063/1.2189224openalex-snapshot
Special stability of cationic MPb12+ clusters and superalkali character of neutral MPb12 clusters (M=B, Al, Ga, In, and Tl)
inferred← citeshttps://doi.org/10.1063/1.2996108openalex-snapshot
Ab initio study on the structure and vibration-rotation energy levels of dilithium monofluoride
inferred← citeshttps://doi.org/10.1063/1.3216373openalex-snapshot
Geometric bonding effects in the X A21, A Σ2u+, and B Π2g states of Li2F
inferred← citeshttps://doi.org/10.1063/1.3254835openalex-snapshot
Low ionization potentials of binuclear superalkali B2Li11
inferred← citeshttps://doi.org/10.1063/1.3636082openalex-snapshot
Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O−
inferred← citeshttps://doi.org/10.1063/1.3657854openalex-snapshot
Photoelectron spectroscopy of the molecular anions, Li3O− and Na3O−
inferred← citeshttps://doi.org/10.1063/1.466660openalex-snapshot
Anionic states of LiFLi
inferred← citeshttps://doi.org/10.1063/1.467313openalex-snapshot
Excess-electron alkali halide clusters Kn+1Cln and Lin+1Fn: A theoretical study
inferred← citeshttps://doi.org/10.1063/1.467469openalex-snapshot
The stability and structure of the hyperlithiated molecules Li3S and Li4S: An experimental and ab initio study
inferred← citeshttps://doi.org/10.1063/1.4728073openalex-snapshot
Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O−
inferred← citeshttps://doi.org/10.1063/1.473107openalex-snapshot
New measurements of appearance potentials and optical absorption of Na2F and Na3O
inferred← citeshttps://doi.org/10.1063/1.474950openalex-snapshot
On the ground and electronically excited states of Na3O: Theory and experiment
inferred← citeshttps://doi.org/10.1063/1.477074openalex-snapshot
An ab initio study of the monoxides and dioxides of sodium
inferred← citeshttps://doi.org/10.1063/1.478965openalex-snapshot
Ionization potentials of LinO (2⩽n⩽70) clusters: Experiment and theory
inferred← citeshttps://doi.org/10.1063/1.481986openalex-snapshot
Ionization energies of hyperlithiated and electronically segregated isomers of Lin(OH)n−1 (n=2–5) clusters
inferred← citeshttps://doi.org/10.1063/1.4954658openalex-snapshot
Star-like superalkali cations featuring planar pentacoordinate carbon
inferred← citeshttps://doi.org/10.1063/1.4958829openalex-snapshot
Potential energy surfaces of the electronic states of Li2F and Li2F−
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp1812295openalex-snapshot
Structures of stoichiometric sodium oxide cluster cations studied by ion mobility mass spectrometry
inferred← citeshttps://doi.org/10.1071/ch10160openalex-snapshot
The Na2X Superalkali Species (X = SH, SCH3, OCH3,CN, N3) as Building Blocks in the Na2XY Salts (Y = MgCl3, Cl, NO2). An Ab Initio Study of the Electric Propertiesof the Na2XY Salts
inferred← citeshttps://doi.org/10.1080/00268976.2011.587462openalex-snapshot
Low ionization potentials of Na4OCN superalkali molecules
inferred← citeshttps://doi.org/10.1080/00268976.2014.900198openalex-snapshot
Novel (Li2X)+(LiX2)−supersalts (X = F, Cl) with aromaticity: a journey towards the design of a new class of salts
inferred← citeshttps://doi.org/10.1080/00268976.2018.1438678openalex-snapshot
Organic superalkalis with closed-shell structure and aromaticity
inferred← citeshttps://doi.org/10.1080/00268976.2019.1615648openalex-snapshot
( x = 1–5): a unique series of organic superalkali cations
inferred← citeshttps://doi.org/10.1080/00268976.2020.1841311openalex-snapshot
Ab initio investigations on the interaction of CO 2 and non-metallic superalkalis: structure, stability and electronic properties
inferred← citeshttps://doi.org/10.1080/00268976.2021.1999519openalex-snapshot
On the surface interaction of C60 with superalkalis: a computational approach
inferred← citeshttps://doi.org/10.1080/08927022.2014.978314openalex-snapshot
Can Li2F2cluster be formed by LiF2/Li2F–Li/F interactions? Anab initioinvestigation
inferred← citeshttps://doi.org/10.1080/08927022.2015.1132840openalex-snapshot
M2X (M= Li, Na; X= F, Cl): the smallest superalkali clusters with significant NLO responses and electride characteristics
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/10.1080/14686996.2024.2357064openalex-snapshot
Theoretically designed M@diaza[2.2.2]cryptand complexes: the role of non-covalent interactions in promoting NLO properties of organic electrides
inferred← citeshttps://doi.org/10.1088/1402-4896/ad4d23openalex-snapshot
Nonlinear optical properties of KnCl (n = 2–7) superalkali clusters
inferred← citeshttps://doi.org/10.1088/2516-1075/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/10.1107/s0108768113001043openalex-snapshot
Isoelectronic and isolobal O, CH2, CH3+and BH3as electron pairs; similarities between molecular and solid-state chemistry
inferred← citeshttps://doi.org/10.1107/s2052519213001048openalex-snapshot
Isoelectronic and isolobal O, CH2, CH3+and BH3as electron pairs; similarities between molecular and solid-state chemistry
inferred← citeshttps://doi.org/10.1142/s0219633611006384openalex-snapshot
SUPERALKALI MOLECULES CONTAINING HALOGENOIDS
inferred← citeshttps://doi.org/10.1149/1945-7111/ac9a05openalex-snapshot
Complexation of F– by Li+ and Mg2+ Ions as Inorganic Anion Acceptors in Lactone-Based Li+/F– and Mg2+/F– Hybrid Electrolytes for Fluoride Shuttle Batteries
inferred← citeshttps://doi.org/10.1246/bcsj.69.1459openalex-snapshot
The Structures and Bonding of Hyperlithiated Molecules
inferred← citeshttps://doi.org/10.1360/032012-320openalex-snapshot
Progress in superhalogen research: Structures, properties and potential applications
inferred← citeshttps://doi.org/10.24094/mkoiee.020.8.1openalex-snapshot
Proceedings of the 8th International Conference on Renewable Electrical Power Sources
inferred← citeshttps://doi.org/10.24094/mkoiee.020.8.1.15openalex-snapshot
„Superalkali” clusters, production, potential application like energy storage materials
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.2026.1827143openalex-snapshot
Ab initio insights into hydrogen-rich polynuclear non-metallic superalkali cations
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/10.3390/mi15010078openalex-snapshot
Design and Investigation of Superatoms for Redox Applications: First-Principles Studies
inferred← citeshttps://doi.org/10.35193/bseufbd.588173openalex-snapshot
Lineer ve Lineer Olmayan Flor Katkılanmış Lityum Topaklarının Optik Özelliklerinin İncelenmesi
inferred← citeshttps://doi.org/10.35193/bseufbd.680146openalex-snapshot
LinI (n=2-8) ve Lin (n=2-9) Topakların Doğrusal Olmayan Optik Aktivitelerinin Kuramsal Olarak İncelenmesi
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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