Roman F. Nalewajski
- Use of Fisher information in quantum chemistry
2008/01/01 by Roman F. Nalewajski · 5 citations
Physics and Astronomy · Chemistry · Computer Science · #Spectroscopy and Quantum Chemical Studies #Chemical Thermodynamics and Molecular Structure #Computational Drug Discovery Methods
- Quantum mechanical valence study of a bond‐breaking–bond‐forming process in triatomic systems
1994/11/15 by Roman F. Nalewajski, Sebastiãto J. Formosinho, AntÓnio J.C. Varandas +2 · 11 citations
Chemistry · Physics and Astronomy · #Chemical Reaction Mechanisms #Advanced Chemical Physics Studies #Molecular Spectroscopy and Structure
- Modified valence indices from the two‐particle density matrix
1994/08/05 by Roman F. Nalewajski, Janusz Mrozek · 23 citations
Physics and Astronomy · Materials Science · #Advanced Chemical Physics Studies #Solid-state spectroscopy and crystallography #Nonlinear Optical Materials Research
- Two-electron valence indices from the Kohn-Sham orbitals
1997/01/01 by Roman F. Nalewajski, Janusz Mrozek, Artur Michalak · 19 citations
Physics and Astronomy · Chemical Engineering · Materials Science · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Thermal and Kinetic Analysis
- Hartree-Fock difference approach to chemical valence: Three-electron indices inUHF approximation
1996/02/05 by Roman F. Nalewajski, Janusz Mrozek · 9 citations
Chemistry · Physics and Astronomy · Materials Science · #Crystallography and molecular interactions #Advanced Chemical Physics Studies #Thermal and Kinetic Analysis