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Theoretical Study on Polynuclear Superalkali Cations with Various Functional Groups as the Central Core

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Comparison of perturbative and multiconfigurational electron propagator methods
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Na3NO3 — kein Orthonitrit
inferredcites →https://doi.org/10.1002/ange.19760881207openalex-snapshot
Kristall‐ und Molekülstruktur des Tetraschwefel‐pentanitrid‐Anions
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Stochastic search for isomers on a quantum mechanical surface
inferredcites →https://doi.org/10.1002/jcc.20637openalex-snapshot
Structural and electronic properties of boron‐doped lithium clusters: Ab initio and DFT studies
inferredcites →https://doi.org/10.1002/qua.560520806openalex-snapshot
Semidirect algorithms in electron propagator calculations
inferredcites →https://doi.org/10.1002/qua.560530602openalex-snapshot
Semidirect algorithms for third‐order electron propagator calculations
inferredcites →https://doi.org/10.1002/rcm.2712openalex-snapshot
Ionization energies of Li n X (n = 2, 3; X = Cl, Br, I) molecules
inferredcites →https://doi.org/10.1002/rcm.5128openalex-snapshot
Ionization energies of K 2 X (X = F, Cl, Br, I) clusters
inferredcites →https://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
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/10.1016/0009-2614(87)80571-7openalex-snapshot
The stability of the molecules Li4O and Li5O
inferredcites →https://doi.org/10.1016/0009-2614(89)87272-0openalex-snapshot
Prediction of a metastable D3h form of tetra oxygen
inferredcites →https://doi.org/10.1016/0009-2614(89)87273-2openalex-snapshot
An ab initio study of bonding trends in the series BO33−, CO32−, NO3− and O4(D3h)
inferredcites →https://doi.org/10.1016/0168-1176(95)90817-2openalex-snapshot
Formation of potassium oxide clusters by seeded supersonic expansion
inferredcites →https://doi.org/10.1016/0301-0104(80)80051-6openalex-snapshot
Ab initio study of the O4 molecule
inferredcites →https://doi.org/10.1016/0301-0104(93)87002-5openalex-snapshot
Green function calculation of ionization energies of hypermetallic molecules
inferredcites →https://doi.org/10.1016/j.cplett.2007.09.082openalex-snapshot
Experimental and theoretical investigation of new hypervalent molecules Li F (n= 2–4)
inferredcites →https://doi.org/10.1016/s0009-2614(00)01109-xopenalex-snapshot
Ionization energies of hyperlithiated Li2F molecule and Li F−1 (n=3,4) clusters
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/ic00343a060openalex-snapshot
Fluorodilithium(1+) and hydroxodilithium(1+) in molten alkali-metal nitrate
inferredcites →https://doi.org/10.1021/ic049418eopenalex-snapshot
Ozonic Acid and Its Ionic Salts: Ab Initio Probing of the O42- Dianion
inferredcites →https://doi.org/10.1021/ic060802gopenalex-snapshot
Planar Tetracoordinate Carbon Atoms Centered in Bare Four-membered Rings of Late Transition Metals
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/ja00356a045openalex-snapshot
Effectively hypervalent molecules. 2. Lithium carbide (CLi5), lithium carbide (CLi6), and the related effectively hypervalent first row molecules, CLi5-nHn and CLi6-nHn
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/ja020097kopenalex-snapshot
In Search of Covalently Bound Tetra- and Penta-Oxygen Species: A Photoelectron Spectroscopic and Ab Initio Investigation of MO4- and MO5- (M = Li, Na, K, Cs)
inferredcites →https://doi.org/10.1021/ja071647nopenalex-snapshot
Superatom Compounds, Clusters, and Assemblies: Ultra Alkali Motifs and Architectures
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/jp057107zopenalex-snapshot
Mindless Chemistry
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/10.1039/b312984eopenalex-snapshot
Pressure induced phase transition and amorphization of Na3ONO2
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/10.1063/1.3657854openalex-snapshot
Photoelectron spectroscopy of the molecular anions, Li3O− and Na3O−
inferredcites →https://doi.org/10.1063/1.437656openalex-snapshot
Thermochemical properties of gaseous Li3O and Li2O2
inferredcites →https://doi.org/10.1063/1.446431openalex-snapshot
The photoionization of oxidized metal clusters
inferredcites →https://doi.org/10.1063/1.449486openalex-snapshot
Natural population analysis
inferredcites →https://doi.org/10.1063/1.455401openalex-snapshot
Electron binding energies of anionic alkali metal atoms from partial fourth order electron propagator theory calculations
inferredcites →https://doi.org/10.1063/1.474950openalex-snapshot
On the ground and electronically excited states of Na3O: Theory and experiment
inferredcites →https://doi.org/10.1063/1.478965openalex-snapshot
Ionization potentials of LinO (2⩽n⩽70) clusters: Experiment and theory
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/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
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.

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New Series of Metallic Superalkalis Fnmn+1+ Cations (M=Li, Na and K)
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Clusters for CO 2 Activation and Conversion
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On the Possibility of Using the Jellium Model as a Guide To Design Bimetallic Superalkali Cations
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Recent Progress on the Design, Characterization, and Application of Superalkalis
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Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study
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Stability and Nonlinear Optical Response of Alkalides that Contain a Completely Encapsulated Superalkali Cluster
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Record Low Ionization Potentials of Alkali Metal Complexes with Crown Ethers and Cryptands
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Study of small chlorine‐doped potassium clusters by thermal ionization mass spectrometry
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Theoretical investigation of geometry and stability of small lithium-iodide LinI (n= 2-6) clusters
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Competition between halogen bond and hydrogen bond in complexes of superalkali Li3S and halogenated acetylene XCCH (X = F, Cl, Br, and I)
inferred← citeshttps://doi.org/10.1002/qua.25075openalex-snapshot
Structures and basicity of LiNOH (N = 1 − 5) species
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Competition between alkalide characteristics and nonlinear optical properties in OLi 3 MLi 3 O (M = Li, Na, and K) complexes
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Alkalized borazine: A simple recipe to design closed‐shell superalkalis
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Designing metal-free organic superalkalis by modifying benzene: a theoretical perspective
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Superalkali atoms bonding to the phenalenyl radical: structures, intermolecular interaction and nonlinear optical properties
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/s00894-016-2994-0openalex-snapshot
Hydrogenated superalkalis and their possible applications
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Zintl superalkalis as building blocks of supersalts
inferred← citeshttps://doi.org/10.1007/s10876-018-1363-9openalex-snapshot
Superalkali Cations with Trivalent Anion MF63− (M = Al, Ga, Sc) as Central Core
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Role of central core and methyl substitutions in XH4-x(CH3)x (X = N, P, As; x = 0–4) superalkalis: an ab initio study
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Si(IV) cationic superalkalis: [SiCl3(LR3)2]
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Hydrogen-based binuclear superalkalis H2M3 (M = Li and Na) and their catalytic applications: a theoretical study
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Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis
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Zintl cluster as a building block of superalkali, superhalogen, and superatom
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BHx+ (x = 1–6) clusters: In the quest for superalkali cation with B-core and H-ligands
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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.2020.112824openalex-snapshot
C2 CO2Li3+: A superalkali cation with planar pentacoordinate carbon
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Effect of confinement on the behavior of superhalogen and superalkali
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.comptc.2026.115986openalex-snapshot
Design of low-electron-affinity cations by utilizing superalkali motif as ligands: a DFT study of hyperalkali species X(Li3O)n+ (n = 2 for X = CN, BO2, SCN, N5; n = 3 for X = CO3)
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Theoretical and experimental study of the non-stoichiometric Li I (n= 3 and 5) clusters
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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.2015.11.027openalex-snapshot
Superbases and superacids form supersalts
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.02.010openalex-snapshot
OLi3O− anion: Designing the strongest base to date using OLi3 superalkali
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Prediction of superalkali@C60 endofullerenes, their enhanced stability and interesting properties
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137952openalex-snapshot
Doped deltahedral organo-Zintl superalkali cations
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Ab initio investigations on bimetallic mononuclear superalkali clusters
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138770openalex-snapshot
1-Alkyl-3-methylimidazolium belong to superalkalis
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X(CH3)+1+ superalkali cations (X = F, O and N) with methyl ligands
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Exploring the bonding and aromaticity of [Au3{C2H2N2E(L)2}3]+ (E = Si, Ge and L = –CH3, -H, -CF3, –NO2): Trinuclear gold superalkali complexes
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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.2020.107573openalex-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.poly.2025.117862openalex-snapshot
Computational exploitation of O Li2+1+ (n = 1–5): A new oxygen-centred series of superalkali clusters
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Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials
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Distinctive Characteristics of Al7Li: A Superatom Counterpart of Group IVA Elements
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Assemblage of Superalkali Complexes with Ever Low-Ionization Potentials
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Does Alkaline-Earth-Metal-Based Superalkali Exist?
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
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Organo–Zintl Clusters [P7R4]: A New Class of Superalkalis
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On the Possibility of Using Aza-Cryptands to Design Superalkalis
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Designing Magnetic Superalkalis with Extremely Large Nonlinear Optical Responses
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/ja411755topenalex-snapshot
Lower the Electron Affinity by Halogenation: An Unusual Strategy To Design Superalkali Cations
inferred← citeshttps://doi.org/10.1021/jacsau.5c00963openalex-snapshot
Unprecedented Carbon-like Nanomaterials and Bandgap-Engineered Perovskites from an Octet-Rule-Derived ONa 6 Supercarbon Building Block
inferred← citeshttps://doi.org/10.1021/jp408810eopenalex-snapshot
Designing Aromatic Superatoms
inferred← citeshttps://doi.org/10.1021/jp4115095openalex-snapshot
Superalkalis and Superhalogens As Building Blocks of Supersalts
inferred← citeshttps://doi.org/10.1039/c2cp41822copenalex-snapshot
D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes
inferred← citeshttps://doi.org/10.1039/c2dt31429kopenalex-snapshot
Prediction and characterization of novel polynuclear superalkali cations
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/c4dt01240bopenalex-snapshot
Superatoms (Li 3 O and BeF 3 ) induce phenalenyl radical π-dimer: fascinating interlayer charge-transfer and large NLO responses
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/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)
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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/c7cp02550eopenalex-snapshot
Does the endohedral borospherene supersalt FLi 2 @B 39 maintain the “super” properties of its subunits?
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
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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)
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Rational design of super-alkalis and their role in CO 2 activation
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On the making of aromatic organometallic superalkali complexes
inferred← citeshttps://doi.org/10.1039/c8cp00862kopenalex-snapshot
The effect of hydration on the electronic structure and stability of the superalkali cation Li 3 +
inferred← citeshttps://doi.org/10.1039/c8dt02530dopenalex-snapshot
Computational investigation of LiF containing hypersalts
inferred← citeshttps://doi.org/10.1039/c8nj06126bopenalex-snapshot
Design of the N n H 3n+1 + series of “non-metallic” superalkali cations
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Star-like superalkali cations featuring planar pentacoordinate carbon
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On the feasibility of designing hyperalkali cations using superalkali clusters as ligands
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp2204058openalex-snapshot
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances
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/10.1080/00268976.2020.1730991openalex-snapshot
MC6Li6 (M = Li, Na and K): a new series of aromatic superalkalis
inferred← citeshttps://doi.org/10.1080/00268976.2026.2715492openalex-snapshot
Electronic structure and superalkali character of Li-functionalized polycyclic carbon systems
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/10.1088/0953-8984/28/35/353001openalex-snapshot
Complex metal borohydrides: multifunctional materials for energy storage and conversion
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/10.3389/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/fchem.2022.880804openalex-snapshot
Superalkali Coated Rydberg Molecules
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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