The thermal stability of S-nitrosothiols: experimental studies and ab initio calculations on model compounds

1997 ◽  
pp. 351 ◽  
Author(s):  
Nicola Bainbrigge ◽  
Anthony R. Butler ◽  
Carl Görbitz
Keyword(s):  
Thermal Stability ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Experimental Studies ◽  
Model Compounds ◽  
Thermal Stability Of

Theoretical and experimental studies on thermal stability of nanocrystalline Mg–Mo alloy

Materialia ◽  
2020 ◽  
Vol 14 ◽  
pp. 100933
Author(s):  
Nikhil Rai ◽  
Bikash K. Samantaray ◽  
Koteswararao V. Rajulapati ◽  
Rahul Ravi ◽  
Srinivasa R Bakshi ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Experimental Studies ◽  
Thermal Stability Of

How Does Nucleophilic Aromatic Substitution in Nitroarenes Really Proceed: General Mechanism

Synthesis ◽  
2017 ◽  
Vol 49 (15) ◽  
pp. 3247-3254 ◽  
Author(s):  
Mieczysław Mąkosza
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Nucleophilic Substitution ◽  
Experimental Studies ◽  
Secondary Reaction ◽  
Nucleophilic Aromatic Substitution ◽  
General Mechanism ◽  
Primary Process ◽  
Nucleophilic Substitution Of Hydrogen ◽  
Aromatic Substitution

On the basis of previously published experimental studies and ab initio calculations, a general corrected mechanism of nucleophilic aromatic substitution was formulated. It was shown that conventional nucleophilic substitution of halogens is a slow secondary reaction whereas nucleophilic substitution of hydrogen is the fast primary process. The general mechanism embraces both of these alternative and complementary reactions.

The relative thermal stability of polymer model compounds

1962 ◽  
Vol 6 (19) ◽  
pp. 47-56 ◽  
Author(s):  
Desmond Sheehan ◽  
Alan P. Bentz ◽  
John C. Petropoulos
Keyword(s):  
Thermal Stability ◽  
Polymer Model ◽  
Model Compounds ◽  
Relative Thermal Stability ◽  
Thermal Stability Of

Structural Aspects of Cyclopropyl Homoconjugation: Experimental Studies and Ab Initio Calculations

1997 ◽  
Vol 1997 (7) ◽  
pp. 1429-1435 ◽  
Author(s):  
Thomas Haumann ◽  
Jordi Benet-Buchholz ◽  
Frank-Gerrit Klärner ◽  
Roland Boese
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Experimental Studies ◽  
Structural Aspects

ChemInform Abstract: Iron-Formaldehyde Interaction: “ab initio” Calculations on the Model Compounds (Fe(CO)4-n(PH3)n(η2-CH2O)) (n = 0, 2, or 4).

ChemInform ◽  
1988 ◽  
Vol 19 (19) ◽  
Author(s):  
M. ROSI ◽  
A. SGAMELLOTTI ◽  
F. TARANTELLI ◽  
C. FLORIANI ◽  
M. F. GUEST
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Model Compounds
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