C28 and C48 fullerenes special properties

G. T. Klimko; M. M. Mestechkin; G. E. Whyman; S. Khmelevsky

doi:10.1016/S0022-2860(98)00815-1

C₂₈ and C₄₈ fullerenes special properties

G. T. Klimko, M. M. Mestechkin, G. E. Whyman, S. Khmelevsky

פרסום מחקרי: פרסום בכתב עת › מאמר › ביקורת עמיתים

5 ציטוטים ‏(Scopus)

תקציר

It was found that the ground state of the carbon cluster C₂₈ of T(d) symmetry is quintet having negative spin-densities. Another cluster C₄₈ of O(h) symmetry manifests different instabilities but has the singlet ground state ¹A(g) with alternation of bond lengths. The fcc lattices for solid C₂₈ doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C₄₈ are discussed.

שפה מקורית	אנגלית
עמודים (מ-עד)	329-333
מספר עמודים	5
כתב עת	Journal of Molecular Structure
כרך	480-481
מזהי עצם דיגיטלי (DOIs)	https://doi.org/10.1016/S0022-2860(98)00815-1
סטטוס פרסום	פורסם - 4 מאי 1999
פורסם באופן חיצוני	כן

גישה למסמך

10.1016/S0022-2860(98)00815-1

קבצים וקישורים אחרים

Link to publication in Scopus

פורמט ציטוט ביבליוגרפי

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title = "C28 and C48 fullerenes special properties",

abstract = "It was found that the ground state of the carbon cluster C28 of T(d) symmetry is quintet having negative spin-densities. Another cluster C48 of O(h) symmetry manifests different instabilities but has the singlet ground state 1A(g) with alternation of bond lengths. The fcc lattices for solid C28 doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C48 are discussed.",

keywords = "Fullerene, Fulleride, Instability, Nonlinear optical property, Open-shell",

author = "Klimko, {G. T.} and Mestechkin, {M. M.} and Whyman, {G. E.} and S. Khmelevsky",

year = "1999",

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T1 - C28 and C48 fullerenes special properties

AU - Klimko, G. T.

AU - Mestechkin, M. M.

AU - Whyman, G. E.

AU - Khmelevsky, S.

PY - 1999/5/4

Y1 - 1999/5/4

N2 - It was found that the ground state of the carbon cluster C28 of T(d) symmetry is quintet having negative spin-densities. Another cluster C48 of O(h) symmetry manifests different instabilities but has the singlet ground state 1A(g) with alternation of bond lengths. The fcc lattices for solid C28 doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C48 are discussed.

AB - It was found that the ground state of the carbon cluster C28 of T(d) symmetry is quintet having negative spin-densities. Another cluster C48 of O(h) symmetry manifests different instabilities but has the singlet ground state 1A(g) with alternation of bond lengths. The fcc lattices for solid C28 doped by alkali-earth elements are examined and peculiarities of nonlinear optical property calculation of C48 are discussed.

KW - Fullerene

KW - Fulleride

KW - Instability

KW - Nonlinear optical property

KW - Open-shell

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DO - 10.1016/S0022-2860(98)00815-1

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AN - SCOPUS:0033522597

SN - 0022-2860

VL - 480-481

SP - 329

EP - 333

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

ER -