Skip to main content
SpringerLink
Log in

Theoretical chemistry: current applications to photochemistry and thermochemistry

  • Regular Article
  • Published:
Theoretical Chemistry Accounts Aims and scope Submit manuscript

Abstract

A historical perspective is given contrasting challenges and advances in theoretical chemistry at the time the first issue of Theoretical Chemistry Accounts appeared in 1962 and the progress achieved since then as expressed in current state-of-the-art applications in photochemistry and thermochemistry.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Hylleraas EA (1928) Z Physik 48:469

    Article  CAS  Google Scholar 

  2. James HM, Coolidge AS (1933) J Chem Phys 1:825

    Article  CAS  Google Scholar 

  3. Møller C, Plesset MS (1934) Phys Rev 46:618

    Article  Google Scholar 

  4. Pople JA, Binkley JS, Seeger R (1976) Int J Quantum Chem Symp 10:1

    Article  CAS  Google Scholar 

  5. Das G, Wahl AC (1976) J Chem Phys 56:1769

    Article  Google Scholar 

  6. Boys SF (1950) Proc Roy Soc Lond A200:542

  7. Roothaan CCJ (1951) Rev Mod Phys 23:69

    Article  CAS  Google Scholar 

  8. Parr RG (1960) Rev Mod Phys 32:169

    Article  Google Scholar 

  9. Coulson CA (1960) Rev Mod Phys 32:170

    Article  CAS  Google Scholar 

  10. Pitzer RM, Lipscomb WN (1963) J Chem Phys 39:1995

    Article  CAS  Google Scholar 

  11. Pitzer RM (2011) J Chem Theory Comput 7:2346

    Article  CAS  Google Scholar 

  12. Jordan PCH, Longuet-Higgins HC (1962) Mol Phys 5:121

    Article  CAS  Google Scholar 

  13. Shavitt I (1985) Tetrahedron 41:1531

    Article  CAS  Google Scholar 

  14. Neugebauer A, Häfelinger G (2005) Int J Mol Sci 6:157

    Article  CAS  Google Scholar 

  15. Schaefer HF (1984) Quantum chemistry—the development of ab initio methods in molecular electronic structure theory. Oxford, New York

    Google Scholar 

  16. Plasser F, Barbatti, M, Aquino AJA, Lischka H (2012) Theor Chem Acc 131:1073

    Google Scholar 

  17. Peterson KA, Feller D, Dixon DA (2012) Theor Chem Acc 131:1079

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, Av. Lineu Prestes, 748, São Paulo, São Paulo, 05508-000, Brazil

    Fernando R. Ornellas

Authors
  1. Fernando R. Ornellas
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Fernando R. Ornellas.

Additional information

Published as part of the special collection of articles celebrating the 50th anniversary of Theoretical Chemistry Accounts/Theoretica Chimica Acta.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Ornellas, F.R. Theoretical chemistry: current applications to photochemistry and thermochemistry. Theor Chem Acc 131, 1086 (2012). https://doi.org/10.1007/s00214-011-1086-6

Download citation

  • Received:

  • Accepted:

  • Published:

  • DOI: https://doi.org/10.1007/s00214-011-1086-6

Keywords

Search

Navigation