ibn-ResPubl-45628
2016-06-22
11
1
74
1857-1727
https://ibn.idsi.md/ro/vizualizare_articol/45628
DFT (B3LYP) computational study on the mechanisms of formation of some semicarbazones
semicarbazone; kinetics; bi- and unimolecular step; transition step; spontaneity
Thermodynamic and kinetic mechanisms of forming six semicarbazones have been investigated computationally by DFT B3LYP method. All the reactions proceed via two transitions and include two consecutive steps: bimolecular and unimolecular. The computed transition steps have varying equilibrium constants values, enthalpy of activation and Gibbs energy of activation, depending on the semicarbazone involved. Also depending on the semicarbazones involved some of the consecutive steps are found to have varying enthalpy of reactions and spontaneity.
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2016-06-22T24:00:00
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2016-06-22T24:00:00
ibn-person-48276
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2016-06-22T24:00:00
ibn-person-48277
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2016-06-22T24:00:00
ibn-person-48278
49815870-1cfe-11e1-8bc2-0800200c9a66
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2016-06-22T24:00:00
ibn-person-48279
49815870-1cfe-11e1-8bc2-0800200c9a66
b7135ad0-1d00-11e1-8bc2-0800200c9a66
2016-06-22T24:00:00
ibn-doi-45628
10.19261/cjm.2016.11(1).10
2016-06-22T24:00:00
31d222b4-11e0-434b-b5ae-088119c51189
bccb3266-689d-4740-a039-c96594b4d916
5123451
eda2b2e2-34c5-11e1-b86c-0800200c9a66
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ibn-Pers-48276
ibn-PersName-48276-3
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2016-06-22T24:00:00
Siakaa
Abdulfatai
ibn-Pers-48277
ibn-PersName-48277-3
55f90543-d631-42eb-8d47-d8d9266cbb26
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2016-06-22T24:00:00
Uzairu
Adamu
ibn-Pers-48278
ibn-PersName-48278-3
55f90543-d631-42eb-8d47-d8d9266cbb26
7375609d-cfa6-45ce-a803-75de69abe21f
2016-06-22T24:00:00
Idris
Sulaiman
ibn-Pers-48279
ibn-PersName-48279-3
55f90543-d631-42eb-8d47-d8d9266cbb26
7375609d-cfa6-45ce-a803-75de69abe21f
2016-06-22T24:00:00
Abba
Hamza
5123451
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