Book Review: Quantum-Mechanical Prediction of Thermochemical Data. Edited by Jerzy Cioslowski

2002 ◽  
Vol 41 (6) ◽  
pp. 1071-1072
Author(s):  
Detlef Schröder
Keyword(s):  
Thermochemical Data ◽  
Quantum Mechanical ◽  
Mechanical Prediction

Quantum-Mechanical Prediction of Nanoscale Photovoltaics

2014 ◽  
Vol 5 (7) ◽  
pp. 1272-1277 ◽  
Author(s):  
Yu Zhang ◽  
LingYi Meng ◽  
ChiYung Yam ◽  
GuanHua Chen
Keyword(s):  
Quantum Mechanical ◽  
Mechanical Prediction

Quantum mechanical study on the oxidation of ethyl vinyl ketone initiated by an OH radical

2018 ◽  
Vol 20 (12) ◽  
pp. 1708-1715
Author(s):  
Subrata Paul ◽  
Nand Kishor Gour ◽  
Ramesh Chandra Deka
Keyword(s):  
Vinyl Ketone ◽  
Thermochemical Data ◽  
Quantum Mechanical ◽  
Oh Radical ◽  
Ethyl Vinyl ◽  
Mechanical Study ◽  
Quantum Mechanical Study

All possible reactions of EVK with OH radical along with thermochemical data (in kcal mol−1) at the M06-2X level.

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