Quantum-chemical models of the molecular structures of open-chain and macrocyclic d-metal chelates with (N,O)- and (N,S)-donor polydentate ligands

2017 ◽  
Vol 62 (13) ◽  
pp. 1770-1787 ◽  
Author(s):  
O. V. Mikhailov
Keyword(s):  
Quantum Chemical ◽  
Metal Chelates ◽  
Molecular Structures ◽  
Open Chain ◽  
Polydentate Ligands ◽  
Chemical Models ◽  
Quantum Chemical Models

Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules

2015 ◽  
Vol 115 (12) ◽  
pp. 5643-5677 ◽  
Author(s):  
Krishnan Raghavachari ◽  
Arjun Saha
Keyword(s):  
Quantum Chemical ◽  
Large Molecules ◽  
Chemical Models ◽  
Quantum Chemical Models

Rotating full- and reduced-dimensional quantum chemical models of molecules

2011 ◽  
Vol 134 (7) ◽  
pp. 074105 ◽  
Author(s):  
Csaba Fábri ◽  
Edit Mátyus ◽  
Attila G. Császár
Keyword(s):  
Quantum Chemical ◽  
Chemical Models ◽  
Quantum Chemical Models
Sign in / Sign up

Export Citation Format

Share Document