Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+

Nonlinear optical and structural properties of M@CNendohedrals (M = Li, Ca and Sc,N= 60 and 70)

(2010) Mojtaba Yaghobi et al.   MOLECULAR PHYSICS

Dipole polarizabilities of trimetallic nitride endohedral fullerenes M3N@C2n (M=Sc and Y; 2n=68–98)

(2009) Jiangang He et al.   CHEMICAL PHYSICS LETTERS

Automated calculation of anharmonic vibrational contributions to first hyperpolarizabilities: Quadratic response functions from vibrational configuration interaction wave functions

(2009) Mikkel Bo Hansen et al.   JOURNAL OF CHEMICAL PHYSICS

Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3

(2009) Josep M. Luis et al.   JOURNAL OF CHEMICAL PHYSICS

Optical and structural properties of the endohedral complexes M@C60 (M=Cs, Li, and Na)

(2009) Mojtaba Yaghobi et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Endohedral fullerenes for organic photovoltaic devices

(2009) Russel B. Ross et al.   NATURE MATERIALS

Dipole polarizabilities of noble gas endohedral fullerenes

(2008) Hong Yan et al.   CHEMICAL PHYSICS LETTERS

The density functional calculations on the structural stability, electronic properties, and static linear polarizability of the endohedral metallofullerene Ba@C74

(2008) Chunmei Tang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

How will the dichlophenyl group affect the geometric structure, electronic properties, and static linear polarizability of La@C72?

(2008) Chunmei Tang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Quantum States of the Endohedral Fullerene Li@C60

(2008) Ming Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A