Book Review: Kurze Anleitung zur Berechnung vonπ-Elektronensystemen(A Short Introduction to the Calculation ofπ-Electron Systems). By J. D. Roberts. An extended translation of“Notes on Molecular Orbital Calculations” by F. Wille

1968 ◽  
Vol 7 (2) ◽  
pp. 155-155
Author(s):  
H. Bock
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Electron Systems ◽  
Short Introduction

Theoretical Studies of Nonbenzenoid Hydrocarbons: 16 π-Electron Systems

1971 ◽  
Vol 49 (17) ◽  
pp. 2840-2849 ◽  
Author(s):  
F. W. Birss ◽  
N. K. Das Gupta
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Theoretical Studies ◽  
Electron Systems ◽  
Consistent Field ◽  
Resonance Energies ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Semi Empirical

Hückel and self-consistent-field semi-empirical π-electron molecular orbital calculations on pentalenoheptalene are reported and the results compared to those of pyrene, acepleiadylene, napth[cde]azulene, and cyclohept[bc]acenaphthylene which contain the same number of π electrons. Resonance energies of all molecules calculated by the methods of Dewar and Whitehead are reported. It is suggested that pentalenoheptalene can be treated as two fused azulene nuclei.

Interactions between Methylene Blue and Pullulan According to Molecular Orbital Calculations

2020 ◽  
Vol 140 (11) ◽  
pp. 529-533
Author(s):  
Pasika Temeepresertkij ◽  
Saranya Yenchit ◽  
Michio Iwaoka ◽  
Satoru Iwamori
Keyword(s):  
Methylene Blue ◽  
Molecular Orbital ◽  
Molecular Orbital Calculations
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