Hyperspherical representation of potential energy surfaces: Intermolecular interactions in tetra-atomic and penta-atomic systems

Physica Scripta

Volumn 84, Issue 2, 2011, Pages

  Barreto, Patricia R P ^a   Albernaz, Alessandra F ^b   Palazzetti, Federico ^c   Lombardi, Andrea ^c   Grossi, Gaia ^c   Aquilanti, Vincenzo ^c  

^a INSTITUTO NACIONAL DE PESQUISAS ESPACIAIS   (Brazil)

^b UNIVERSITY OF BRASILIA   (Brazil)

^c UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; CENTERS-OF-MASS; DIATOMIC MOLECULES; EQUILIBRIUM CONFIGURATION; HYPERSPHERICAL; HYPERSPHERICAL COORDINATES; HYPERSPHERICAL HARMONICS; INTERACTING SYSTEM; INTERACTION POTENTIALS; INTERMOLECULAR INTERACTIONS; MUTUAL ORIENTATION; OXYGEN INTERACTION; WATER INTERACTIONS;

ATOMS; INERT GASES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

MOLECULES;

EID: 80051703254     PISSN: 00318949     EISSN: 14024896     Source Type: Journal    
DOI: 10.1088/0031-8949/84/02/028111     Document Type: Article

References (53)

1. Palazzetti F, Elango M, Lombardi A, Grossi G and Aquilanti V 2011 Int. J. Quantum Chem. 111 318
2. Aquilanti V and Cavalli S 1986 J. Chem. Phys. 85 1355
3. Aquilanti V, Cavalli S and Grossi G 1986 J. Chem. Phys. 85 1362
4. Aquilanti V, Cavalli S and De Fazio D 1998 J. Chem. Phys. 109 3792
5. Aquilanti V, Cavalli S, De, Fazio D and Volpi A 2001 Int. J. Quantum Chem. 85 368
6. Wang D S and Kuppermann A 2003 J. Phys. Chem. A 107 7290
7. Aquilanti V and Cavalli S 1997 J. Chem. Soc. Faraday Trans. 93 801
8. Kuppermann A 1997 J. Phys. Chem. A 101 6368
9. Littlejohn R G, Mitchell K A and Aquilanti V 1999 Phys. Chem. Chem. Phys. 1 1259
10. Wang D S and Kuppermann A 2001 J. Chem. Phys. 115 9184
11. Aquilanti V, Beddoni A, Lombardi A and Littlejohn R G 2002 Int. J. Quantum Chem. 89 277
12. Aquilanti V, Lombardi A and Littlejohn R G 2004 Theor. Chem. Accounts 111 400
13. Kuppermann A 2004 J. Phys. Chem. A 108 8894
14. Aquilanti V, Ascenzi D, Bartolomei M, Cappelletti D, Cavalli S, de Castro Vitores M and Pirani F 1999 J. Am. Chem. Soc. 121 10794
15. Aquilanti V, Bartolomei M, Cappelletti D, Carmona-Novillo E and Pirani F 2001 Phys. Chem. Chem. Phys. 3 3891
16. Aquilanti V, Bartolomei M, Cappelletti D, Carmona-Novillo E and Pirani F 2002 J. Chem. Phys. 117 615
17. Aquilanti V, Bartolomei M, Carmona-Novillo E and Pirani F 2003 J. Chem. Phys. 118 2214
18. Aquilanti V, Ascenzi D, Cappelletti D, Fedeli R and Pirani F 1997 J. Phys. Chem. A 101 7648
19. Aquilanti V, Ascenzi D, Cappelletti D and Pirani F 1999 J. Phys. Chem. A 103 4424
20. Carmona-Novillo E, Pirani F and Aquilanti V 2004 Int. J. Quantum Chem. 99 616
21. Cappelletti D, Vecchiocattivi F, Pirani F, Heck E L and Dickinson A S 1998 Mol. Phys. 93 485
22. Aquilanti V, Carmona-Novillo E and Pirani F 2002 Phys. Chem. Chem. Phys. 4 4970
23. Brunetti B, Liuti E, Luzzatti E, Pirani F and Vecchiocattivi F 1981 J. Chem. Phys. 74 6734
24. Pirani F, Vecchiocattivi F, van den Biesen J J H and van den Meijdenberg C J N 1981 J. Chem. Phys. 75 1042
25. Pirani F and Vecchiocattivi F 1982 Mol. Phys. 45 1003
26. Cappelletti D, Pirani F, Bussery-Honvault B and Gomez L 2008 Phys. Chem. Chem. Phys. 10 4281
27. Aquilanti V, Bartolomei M, Cappelletti D, Carmona-Novillo E and Pirani F 2004 Int. J. Photoenergy 6 53
28. Aquilanti V, Ascenzi D, Cappelletti D, de Castro Vitores M and Pirani F 1998 J. Chem. Phys. 109 3898
29. Barreto P R P, Vilela A F A, Lombardi A, Maciel G S, Palazzetti F and Aquilanti V 2007 J. Phys. Chem. A 111 12754
30. Maciel G S, Barreto P R P, Palazzetti F, Lombardi A and Aquilanti V 2008 J. Chem. Phys. 129 164302
31. Barreto P R P, Palazzetti F, Grossi G, Lombardi A, Maciel G S and Vilela A F A 2010 Int. J. Quantum Chem. 110 777
32. Barreto P R P, Albernaz A F and Palazzetti F 2010 Int. J. Quantum Chem. doi:10.1002/qua.23073
33. Aquilanti V, Grossi G, Lombardi A, Maciel G S and Palazzetti F 2008 Phys. Scr. 78 058119
34. Maciel G S, Bitencourt A C P, Ragni M and Aquilanti V 2006 Chem. Phys. Lett. 412 383
35. Maciel G S, Bitencourt A C P, Ragni M and Aquilanti V 2007 Int. J. Quantum Chem. 107 2697
36. Busalla A, Blum K and Thompson D G 1999 Phys. Rev. Lett. 83 1562
37. Lombardi A, Palazzetti F, Maciel G S, Aquilanti V and Sevryuk M B 2011 Int. J. Quantum Chem. 111 1651
38. Aquilanti V and Maciel G S 2006 Orig. Life Evol. Biosph. 36 435
39. Barreto P R P, Ribas V W and Palazzetti F 2009 J. Phys. Chem. A 113 15047
40. Frisch M J 2004 Gaussian 03, revision c.02 Technical Report Gaussian, Inc., Wallingford, CT
41. Boys S F and Bernardi F 1970 Mol. Phys. 19 553
42. Roncaratti L F, Belpassi L, Cappelletti D, Pirani F and Tarantelli F 2009 J. Phys. Chem. A 113 15223
43. Belpassi L, Tarantelli F, Pirani F, Candori P and Cappelletti D 2009 Phys. Chem. Chem. Phys. 11 9970
44. Curtiss L A and Eisgruber C L 1984 J. Chem. Phys. 80 2022
45. Wheatley R J and Harvey A H 2007 J. Chem. Phys. 127 074303
46. Pirani F, Maciel G S, Cappelletti D and Aquilanti V 2006 Int. Rev. Phys. Chem. 25 165
47. Belpassi L, Reca M L, Tarantelli F, Roncaratti L F, Pirani F, Cappelletti D, Faure A and Scribano Y 2010 J. Am. Chem. Soc. 132 13046
48. Cappelletti D, Candori P, Roncaratti L F and Pirani F 2010 Mol. Phys. 108 2179
49. Cappelletti D, Aquilanti V, Cornicchi E, Teixidor M M and Pirani F 2005 J. Chem. Phys. 123 024308
50. Aquilanti V, Cornicchi E, Teixidor M M, Saendig N, Pirani F and Cappelletti D 2005 Angew. Chem. Int. Edn. Engl. 44 2356
51. Candori P, Cappelletti D, Falcinelli S, Pirani F, Roncaratti L F, Tarantelli F and Vecchiocattivi F 2008 Phys. Scr. 78 038102
52. Cappelletti D, Barreto P R P, Vilela A F A, Gargano R, Pirani F and Aquilanti V 2006 J. Chem. Phys. 111 133111
53. Aquilanti V, Cappelletti D, Pirani F and Roncaratti L F 2009 Int. J. Mass Spectrosc. 280 72