scholarly journals Quantum chemical interpretation of oxidation number with ab initio molecular orbital wave functions.

1986 ◽  
pp. 1395-1403 ◽  
Author(s):  
Keiko TAKANO ◽  
Haruo HOSOYA ◽  
Suehiro IWATA
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Quantum Chemical ◽  
Wave Functions ◽  
Oxidation Number

Ab initio quantum-chemical study on emission spectra of bioluminescent luciferases by fragment molecular orbital method

2009 ◽  
Vol 472 (1-3) ◽  
pp. 118-123 ◽  
Author(s):  
Ayumu Tagami ◽  
Nobuhiro Ishibashi ◽  
Dai-ichiro Kato ◽  
Naoki Taguchi ◽  
Yuji Mochizuki ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Emission Spectra ◽  
Chemical Study ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital
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