Ab initio study of the electronic structure of manganese carbide

Journal of Chemical Physics

Volumn 124, Issue 15, 2006, Pages

  Kalemos, Apostolos ^a   Dunning Jr , Thom H ^a   Mavridis, Aristides ^b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARBIDES; CHEMICAL BONDS; CORRELATION THEORY; DISSOCIATION; ELECTRONIC STRUCTURE; GROUND STATE;

BASIS SETS; GROUND STATE ATOMS; MANGANESE CARBIDE (MNC); MULTIREFERENCE CONFIGURATION INTERACTION (MRCI) METHODS;

MANGANESE COMPOUNDS;

EID: 34547236954     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2181972     Document Type: Article

References (22)

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2. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
3. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
4. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
5. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
6. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
7. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
8. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
9. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
10. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
11. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
12. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
13. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
14. (a) A. Kalemos, A. Mavridis, and J. F. Harrison, J. Phys. Chem. A 1089-5639 10.1021/jp003031p 105, 755 (2001); (b) I. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp002264d 104, 11777 (2000); (c) I. S. K. Kerkines and A. Mavridis, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc20030387 68, 387 (2003); (d) A. Kalemos and A. Mavridis, J. Phys. Chem. A 1089-5639 10.1021/jp0141225 106, 3905 (2002); (e) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926228 123, 014301 (2005); (f) I. S. K. Kerkines and A. Mavridis, Mol. Phys. 0026-8976 10.1080/0026897042000274964 102, 2451 (2004); (g) A. Kalemos, T. H. Dunning Jr., and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1926247 123, 014302 (2005); (h) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1450548 116, 4901 (2002); (i) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1545680 118, 4984 (2003); (j) D. Tzeli and A. Mavridis, J. Chem. Phys. 0021-9606 10.1063/1.1834564 122, 056101 (2005); (k) D. Tzeli and A. Mavridis, J. Phys. Chem. A 1089-5639 109, 9249 (2005); (l) D. Tzeli and A. Mavridis (unpublished); (m) I. S. K. Kerkines, J. Pittner, P. Čársky, A. Mavridis, and I. Hubač, J. Chem. Phys. 0021-9606 10.1063/1.1516809 117, 9733 (2002); (n) A. Tsouloucha, I. S. K. Kerkines, and A. Mavridis, J. Phys. Chem. A 107, 6062 (2003).
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