Diatomic interaction energies in the topological theory of atoms in molecules

Theoretical Chemistry Accounts

Volumn 95, Issue 1-2, 1997, Pages 1-12

  Sierraalta, Anibal ^a   Frenking, Gernot ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Binding energy; Charge density; Electron density; Interaction energy; Topological theory

Indexed keywords

EID: 0002635780     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf02329238     Document Type: Article

References (22)

1. Bader RFW (1991) Chem Rev 91:893
2. Bader RFW, Tal Y, Anderson SG, Nguyen-Dang TT (1980) Israel J Chem 19:8
3. Bader RFW (1990) Atoms in molecules: a quantum theory. Clarendon Press, Oxford
4. Cioslowski J, Martinov M, Mixon ST (1993) J Phys Chem 97:10948
5. Cioslowski J, Mixon ST (1991) J Am Chem Soc 113:4142
6. Angyan JG, Loos M, Mayer I (1994) J Phys Chem 98:5244
7. Ruedenberg K (1962) Rev Mod Phys 34:326
8. Pople JA, Santry DP, Segal GA (1965) J Chem Phys 43:5129
9. Clementi E (1968) Chem Rev 68:341
10. Fischer H, Kollma H (1970) Theoret Chim Acta (Berl.) 16:163
11. Dewar MJS, Lo DH (1971) J Am Chem Soc 93:2015
12. Sanchez M, Ruette F (1992) J Mol Struct (Theochem) 254:35
13. Kollmar H (1978) Theoret Chim Acta 50:235
14. Frisch JM, Trucks GW, Head-Gordon M, Gill PMW, Wong MW, Foresman JB, Schlegel HB, Raghavachari K, Robb MA, Binkley JS, Gonzales C, Martin R, Fox DJ, Defrees DJ, Baker J, Stewart JJP, Pople JA (1992) J Gaussian'92, Revision C, Gaussian Inc., Pittsburg, PA.
15. Biegler-Koning F, Bader RFW, Tang TH (1982) J Comput Chem 3:317
16. (a) Hehre WJ, Ditchfield R, Pople JA (1972) J Chem Phys 56:2257;
17. (b) Hariharan PC, Pople JA (1973) Theoret Chim Acta 28:213;
18. (c) Gordon MS (1980) Chem Phys Lett 76:163
19. Krishnan R, Binkley JS, Seeger R, Pople JA (1980) J Chem Phys 72:650
20. Berner A, Dolg M, Kuchle W, Stoll H, Preuss H (1993) Mol Phys 80:1431
21. Huheey JE (1975) Inorganic chemistry: principles of structure and reactivity. Harper & Row, New York, p 694;
22. (b) Weast RC, Tuve GL (eds) (1972) Handbook of chemistry and physics, 53rd edn, CRC Press, Cleveland, OH