A localized electrons detector for atomic and molecular systems

Theoretical Chemistry Accounts

Volumn 127, Issue 4, 2010, Pages 393-400

  Bohórquez, Hugo J ^a   Boyd, Russell J ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

Author keywords

Chemical bond; Electron kinetic energy; Electron localization; Electron momentum; Electron pairs; Local quantum value; Quantum topology; Theoretical methods

Indexed keywords

EID: 77957930881     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0727-5     Document Type: Article

References (34)

1. Lewis GN (1916) J Am Chem Soc 38: 762.
2. Hohenberg P, Kohn W (1964) Phys Rev B 136: 864.
3. Bader RFW (1990) Atoms in molecules. A quantum theory. Oxford University Press, New York.
4. Bader RFW (1994) Phys Rev B 49: 13348.
5. Bader RFW, Johnson S, Tang TH, Popelier PLA (1996) J Phys Chem 100: 15398.
6. Bader RFW, Essen H (1984) J Chem Phys 80: 1943.
7. Becke AD, Edgecombe KE (1990) J Chem Phys 92: 5397.
8. Shi Z, Boyd RJ (1988) J Chem Phys 88: 4375.
9. Silvi B, Savin A (1994) Nature 371: 683.
10. Bohórquez HJ, Boyd RJ (2008) J Chem Phys 129: 024110.
11. Bohórquez HJ, Boyd RJ (2009) Chem Phys Lett 480: 127.
12. Luo SL (2002) Int J Theor Phys 41: 1713.
13. Luken WL, Culberson JC (1982) Int J Quantum Chem 16: 265.
14. Dobson JF (1991) J Chem Phys 94: 4328.
15. Gatti C (2005) Z Kristallogr 220: 399.
16. Silvi B, Savin A (1994) Mineral Mag 58A: 842.
17. Samuelsson P, Büttiker M (2002) Phys Rev Lett 89: 046601.
18. Kohout M, Savin A, Preuss H (1991) J Chem Phys 95: 1928.
19. Cohen L (1996) Phys Lett A 212: 315.
20. Kohout M, Savin A (1996) Int J Quant Chem 60: 875.
21. Navarrete-Lopez AM, Garza J, Vargas R (2008) J Chem Phys 128: 104110.
22. Schmider HL, Becke AD (2000) J Mol Struct (Theochem) 527: 51.
23. Kato WA (1957) Commun Pure Appl Math 10: 151.
24. Pyykko P (1988) Chem Rev 88: 563.
25. Nguyen-Dang TT, Bader RFW (1982) Physica A 114: 68.
26. Matta CF, Boyd RJ (eds) (2007) The quantum theory of atoms in molecules. From solid state to DNA and drug design. Wiley-VCH, New York.
27. Site LD (2000) Int J Mod Phys B 14: 1891.
28. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA et al (2009) Gaussian 09 revision A. 1. Gaussian Inc., Wallingford.
29. Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) J Comput Chem 13: 1605.
30. Bader RFW (2009) J Phys Chem A 113: 10391.
31. Arunan E, Scheiner S (2007) Chem Int 29: 16.
32. Elgobashi N, González L (2006) J Chem Phys 124: 174308.
33. Klopper W, Quack M, Suhm M (1998) J Chem Phys 108: 10096.
34. Meuwly M, Hutson JM (1999) J Chem Phys 110: 8338.