Anharmonicity in the V 2O 3 molecule and thermodynamic properties of V 2O 3 in the gas phase

High Temperature

Volumn 50, Issue 1, 2012, Pages 56-60

  Gusarov, A V ^a   Osina, E L ^a  

^a JOINT INSTITUTE FOR HIGH TEMPERATURES   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONICITIES; EXCITED ELECTRONIC STATE; GASPHASE; HARMONIC MODEL; QUANTUM-MECHANICAL CALCULATION; RELATIVE STABILITIES; SPIN STATE; STRUCTURAL PARAMETER; SYMMETRY STRUCTURES; TEMPERATURE RANGE; THERMODYNAMIC FUNCTIONS;

BERYLLIUM MINERALS; ELECTRONIC STATES; MOLECULES;

ISOMERS;

EID: 84861371881     PISSN: 0018151X     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0018151X12010075     Document Type: Article

References (9)

1. Termodinamicheskie svoistva individual'nykh vesh-chestv. Elektronnoe spravochnoe izdanie, Tom 6: Ele-menty Mn, Cr V, Ti, Sciikh soedineniya (Thermody-namic Properties of Individual Substances: Electronic Reference Book Volume 6: The Elements Mn, Cr, V, Ti, Sc, and Their Compounds) http://www.chem. msu.su/rus/tsiv/
2. Chertihin, G.V., Bare, W.D., and Andrews, L., J. Phys. Chem. A, 1997, vol. 101, no. 28, p. 5090.
3. Zhai, H.J. and Wang, L.S., J. Chem. Phys., 2002, vol. 117, no. 17, p. 7882.
4. Calatayud, M., Andres, J., and Beltran, A., J. Phys. Chem. A, 2001, vol. 105, no. 42, p. 9760.
5. Jakubikova, E., Rappe, A.K., and Bernstein, E.R., J. Phys. Chem. A, 2007, vol. 111, no. 50, p. 12938.
6. Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scu-seria, G.E., Robb, M.A., Cheeseman, J.R., Zakrze-wski, V.G., Montgomery, J.A., Jr., Stratmann, R.E., Burant, J.C., Dapprich, S., Millam, J.M., Daniels, A.D., Kudin, K.N., Strain, M.C., Farkas, O., Tomasi, J., Barone, V., Cossi, M., Cammi, R., Men-nucci, B., Pomelli, C., Adamo, C., Clifford, S., Ochterski, J., Petersson, G.A., Ayala, P.Y., Cui, Q., Morokuma, K., Salvador, P., Dannenberg, J.J., Malick, D.K., Rabuck, A.D., Raghavachari, K., Fores-man, J.B., Cioslowski, J., Ortiz, J.V., Baboul, A.G., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Gomperts, R., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Andres, J.L., Gonzalez, C., Head-Gordon, M., Replogle, E.S., and Pople, J.A., Gaussian 98: Quantum Chemistry Program, Pittsburgh, Pennsylvania, United States: Gaussian, 2001.
7. Moore, C.E., Natl. Bur. Stand. Circ. (USA), 1949, no. 467, p. 303.
8. Gurvich, L.V., Efremov, Yu.M., and Iorish, V.S., High Temp., 1980, vol. 18, no. 5, p. 738.
9. Dorofeeva, O.V., Doctoral (Chem.) Dissertation, Moscow: Faculty of Chemistry, Moscow State University, 2008, p. 23.