Packed to the rafters: filling up C60 with rare gas atoms.
暂无分享,去创建一个
Ralf Tonner | Gernot Frenking | Peter Schwerdtfeger | Matthias Lein | G. Frenking | P. Schwerdtfeger | R. Tonner | M. Lein
[1] Rodney S. Ruoff,et al. The bulk modulus of C60 molecules and crystals: A molecular mechanics approach , 1991 .
[2] L. Türker,et al. AM1 treatment of endohedrally hydrogen doped fullerene, nH2@C60 , 2003 .
[3] Marco Häser,et al. Auxiliary basis sets to approximate Coulomb potentials (Chem. Phys. Letters 240 (1995) 283-290) , 1995 .
[4] Hideyuki Funasaka,et al. 13C and 139La NMR Studies of La2@C80: First Evidence for Circular Motion of Metal Atoms in Endohedral Dimetallofullerenes , 1997 .
[5] Robert P. Krawczyk,et al. Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions , 2006 .
[6] Harold W. Kroto. Symmetry, Space, Stars, and C60 (Nobel Lecture) , 1997 .
[7] Martin Saunders,et al. Two helium atoms inside fullerenes: probing the internal magnetic field in C60(6-) and C70(6-). , 2002, Journal of the American Chemical Society.
[8] J. F. Ogilvie,et al. Potential-energy functions of diatomic molecules of the noble gases , 1993 .
[9] R. Smalley,et al. Fullerenes with metals inside , 1991 .
[10] Takeshi Akasaka,et al. Endohedral metal atoms in pristine and functionalized fullerene cages. , 2010, Accounts of chemical research.
[11] K. Szalewicz,et al. Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data. , 2007, The Journal of chemical physics.
[12] B. Wagner,et al. C60 under pressure-bulk modulus and equation of state , 1994 .
[13] S. C. O'brien,et al. C60: Buckminsterfullerene , 1985, Nature.
[14] Pekka Pyykkö,et al. Molecular single-bond covalent radii for elements 1-118. , 2009, Chemistry.
[15] Martin Saunders,et al. Noble Gas Atoms Inside Fullerenes , 1996, Science.
[16] H. Dodziuk,et al. Modeling complexes of H2 molecules in fullerenes , 2005 .
[17] R. Guirado-López,et al. Clustering of H2 molecules encapsulated in fullerene structures , 2002 .
[18] D. Bohme,et al. Ab initio MO calculation on the energy barrier for the penetration of a benzene ring by a helium atom. Model studies for the formation of endohedral He@C60+ complexes by high-energy bimolecular reactions , 1992 .
[19] Gustavo E. Scuseria,et al. Noble Gas Endohedral Complexes of C60 Buckminsterfullerene , 1997 .
[20] R. Hellmann,et al. Ab initio pair potential energy curve for the argon atom pair and thermophysical properties of the dilute argon gas. I. Argon–argon interatomic potential and rovibrational spectra , 2008 .
[21] P. Pyykkö,et al. Trends in inversion barriers. I. Group‐15 hydrides , 1992 .
[22] A. Hirsch,et al. High-energy collisions of organofullerene cations with helium. Ligand evaporation caused by encapsulation of the noble gas atom , 1992 .
[23] J. F. Ogilvie,et al. Potential-energy functions of diatomic molecules of the noble gases I. Like nuclear species , 1992 .
[24] M. Kappes,et al. The Structure of the C60 Molecule: X-Ray Crystal Structure Determination of a Twin at 110 K , 1991, Science.
[25] F. Weigend. Accurate Coulomb-fitting basis sets for H to Rn. , 2006, Physical chemistry chemical physics : PCCP.
[26] Helmut Schwarz,et al. Endohedral fullerene-noble gas clusters formed with high-energy bimolecular reactions of Cxn+ (x=60, 70; n=1,2,3) , 1992 .
[27] Darrin M. York,et al. High-level ab initio methods for calculation of potential energy surfaces of van der Waals complexes , 2004 .
[28] B. Yakobson,et al. Fullerene nanocage capacity for hydrogen storage. , 2008, Nano letters.
[29] Walter Thiel,et al. How Does Helium Get into Buckminsterfullerene , 1996 .
[30] F. Weigend,et al. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. , 2005, Physical chemistry chemical physics : PCCP.
[31] Martin Saunders,et al. Some new diatomic molecule containing endohedral fullerenes , 2001 .
[32] Helmut Schwarz,et al. High-energy collisions of Kr@C60+. with helium. Evidence for the formation of HeKr@C60+. , 1994 .
[33] Gernot Frenking,et al. Is this a chemical bond? A theoretical study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe). , 2007, Chemistry.
[34] Helmut Schwarz,et al. Endohedral Cluster Compounds: Inclusion of Helium within C 60•⊕ and C 70•⊕ through Collision Experiments , 1991 .
[35] S. C. O'brien,et al. Lanthanum complexes of spheroidal carbon shells , 1985 .
[36] H. Schwarz,et al. Endohedrale Clusterverbindungen : Einbau von Helium in C60.+- und C70.+-Fullerene durch Kollisionsexperimente , 1991 .
[37] Martin Saunders,et al. An artificial molecule of Ne2 inside C70 , 1998 .
[38] Takeshi Akasaka,et al. 13C‐ und 139La‐NMR‐Untersuchungen an La2@C80 — der erste Nachweis kreisförmiger Bewegungen von Metallatomen in endohedralen Dimetallofullerenen , 1997 .
[39] H. W. Kroto. SYMMETRIE, WELTALL, STERNE UND C60 (NOBEL-VORTRAG) , 1997 .
[40] Martin Saunders,et al. Incorporation of helium, neon, argon, krypton, and xenon into fullerenes using high pressure , 1994 .
[41] A. Hesselmann,et al. On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C(60) fullerene with a rare gas atom. , 2011, Physical chemistry chemical physics : PCCP.
[42] R. Kaner,et al. Lanthanum carbide (La2C80): a soluble dimetallofullerene , 1991 .
[43] Takeshi Akasaka,et al. A theoretical study of C80 and La2@C80 , 1995 .
[44] Stefan Grimme,et al. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction , 2006, J. Comput. Chem..
[45] Pavel Hobza,et al. State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2 , 2003 .
[46] Martin Saunders,et al. Stable Compounds of Helium and Neon: He@C60 and Ne@C60 , 1993, Science.
[47] H. Jiménez-Vázquez,et al. RELEASE OF NOBLE GAS ATOMS FROM INSIDE FULLERENES , 1996 .
[48] N. Turro,et al. Hydrogen molecules inside fullerene C70: quantum dynamics, energetics, maximum occupancy, and comparison with C60. , 2010, Journal of the American Chemical Society.
[49] Manuel N. Chaur,et al. Chemische, elektrochemische und Struktureigenschaften von endohedralen Metallofullerenen , 2009 .
[50] Hans W. Horn,et al. ELECTRONIC STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS: THE PROGRAM SYSTEM TURBOMOLE , 1989 .
[52] Luis Echegoyen,et al. Chemical, electrochemical, and structural properties of endohedral metallofullerenes. , 2009, Angewandte Chemie.