quantum chemical investigation
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Atmospheric Oxidation of Dichlorodiphenyltrichloroethane (DDT) Initiated by OH and NO3 Radicals: a Quantum Chemical Investigation

2021 ◽  
pp. 139225
Author(s):  
Shengming Wang ◽  
Fanghan Sun ◽  
Xiujun Wang ◽  
Yuanyuan Wei ◽  
Lei Li ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Chemical Investigation ◽  
Atmospheric Oxidation ◽  
Quantum Chemical Investigation

A new metal-organic hybrid material: Synthesis, structural, electro-optical properties and quantum chemical investigation

2021 ◽  
Vol 121 ◽  
pp. 111616
Author(s):  
Vadivel Siva ◽  
Anbazhagan Murugan ◽  
Abdul samad Shameem ◽  
Shunmuganarayanan Athimoolam ◽  
Sultan Asath Bahadur
Keyword(s):  
Optical Properties ◽  
Hybrid Material ◽  
Quantum Chemical ◽  
Chemical Investigation ◽  
Material Synthesis ◽  
Quantum Chemical Investigation ◽  
Organic Hybrid ◽  
Metal Organic ◽  
Organic Hybrid Material

Experimental and quantum chemical investigation of bio-fuels/lubricants for its oxidative stability

2021 ◽  
pp. 117292
Author(s):  
Sneha. E ◽  
G. V. S. Karthik ◽  
Ananthan.D. Thampi ◽  
Abhijith krishna ◽  
Amjesh Revikumar ◽  
...  
Keyword(s):  
Oxidative Stability ◽  
Quantum Chemical ◽  
Chemical Investigation ◽  
Quantum Chemical Investigation

Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation

2021 ◽  
Vol 140 (7) ◽  
Author(s):  
Jing Cui ◽  
Farhan Siddique ◽  
Reed Nieman ◽  
Gustavo T. M. Silva ◽  
Frank H. Quina ◽  
...  
Keyword(s):  
Excited State ◽  
Quantum Chemical ◽  
Chemical Investigation ◽  
Quantum Chemical Investigation
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