Molecular geometries from spin Hamiltonian calculations through simultaneous optimization of geometry and wave function
Author:
Publisher
Springer Science and Business Media LLC
Subject
Chiropractics,Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/BF00533193.pdf
Reference14 articles.
1. Said M, Maynau D, Malrieu JP, Garcia-Bach MA (1984) J Am Chem Soc 106:571; Said M, Maynau D, Malrieu JP (1984) J Am Chem Soc 106:580
2. Sanchez-Marin J, Malrieu JP (1985) J Phys Chem 89:978; Sanchez-Marin J, Malrieu JP (1985) J Am Chem Soc 107:1985
3. Malrieu JP, Maynau D, Daudey JP (1984) Phys Rev B30:1817
4. Cioslowski J (1987) Chem Phys Lett 134:507
5. Cioslowski J (1987) MATCH 22:245
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