Quantum chemical calculations of dissociation energies of a series of diatomic manganese compounds

High Temperature

Volumn 49, Issue 4, 2011, Pages 620-622

  Gusarov, A V ^a   Yorish, V S ^a  

^a JOINT INSTITUTE FOR HIGH TEMPERATURES   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGIES; PRIORI ESTIMATION; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-MECHANICAL CALCULATION;

DISSOCIATION; MANGANESE; MANGANESE OXIDE; QUANTUM CHEMISTRY; QUANTUM THEORY; TRANSITION METAL COMPOUNDS;

CHEMICAL COMPOUNDS;

EID: 80053993075     PISSN: 0018151X     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0018151X11040109     Document Type: Article

References (10)

1. Gusarov, A.V. and Iorish, V.S., Zh. Fiz. Khim., 2006, vol. 80, no. 11, p. 2092.
2. Gusarov, A.V. and Iorish, V.S., Quantum-Mechanical Calculations of Thermal Chemistry of Molecules with Evaluation of the Reliability of the Results, in Trudy XII Rossiiskoi konferentsii po teplofizicheskim svoistvam veshchestv (Proceedings of the XII Russian Conference on Thermophysical Properties of Substances (RCTP), Moscow, Russia, October 7-8, 2008), Moscow: Interkontakt, Nauka, 2009, p. 166.
3. Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Zakrzewski, V.G., Mont-gomery, J.A., Jr., Stratmann, R.E., Burant, J.C., Dap-prich, S., Millam, J.M., Daniels, A.D., Kudin, K.N., Strain, M.C., Farkas, O., Tomasi, J., Barone, V., Cossi, M., Cammi, R., Mennucci, B., Pome-lli, C., Adamo, C., Clif-ford, S., Ochterski, J., Peters-son, G.A., Ayala, P.Y., Cui, Q., Morokuma, K., Salva-dor, P., Dannenberg, J.J., Malick, D.K., Rabuck, A.D., Raghavachari, K., Fores-man, J.B., Cioslowski, J., Ortiz, J.V., Baboul, A.G., Ste-fanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaro-mi, I., Gomperts, R., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacom-be, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Andres, J.L., Gonzalez, C., Head-Gordon, M., Rep-logle, E.S., and Pople, J.A., Gaussian 98: Quantum Chemis-try Program (Revision A.11), Pittsburgh, Pennsylvania, United States: Gaussian, 2001.
4. Extensible Computational Chemistry Environment Basis Set Database (Version 02/25/04), Richland, Washing-ton, United States: The Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, The Pacific Northwest Laboratory; http:// www.emsl.pnl.gov/forms/basisform.html.
5. Bauschlicher, C.W., Theor. Chem. Acc., 1999, vol. 101, p. 421.
6. Bauschlicher, C.W., J. Phys. Chem. A, 1999, vol. 103, p. 6429.
7. Termodinamicheskie svoistva individual'nykh vesh-chestv. Elektronnoe spravochnoe izdanie (Thermody-namical Properties of Pure Substances: An Electronic Reference Book), Vol. 6: Elementy Mn, Cr, V, Ti, Sc i ikh soedineniya (Mn, Cr, V, Ti, and Sc Elements and Their Compounds); http://www.chem.msu.su/ rus/tsiv.
8. Bulewicz, E.M., Phillips, L.S., and Sugden, T.M., Trans. Faraday Soc., 1961, vol. 57, p. 921.
9. Smoes, S. and Drowart, J., High Temp. Sci., 1984, vol. 17, p. 31.
10. Valdussi, G., Samrodoniso, M., Gigli, G., Meloni, G.G., and Cesaro, S.N., J. Chem. Phys., 2002 vol. 117, p. 10613.