Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol

• المؤلفون الرئيسيون: Rathawat Daengngern, Khanittha Kerdpol, Nawee Kungwan, Supa Hannongbua, Mario Barbatti
• التنسيق: دورية
• منشور في: 2018
• الموضوعات: Chemical Engineering; Chemistry; Physics and Astronomy
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84879480060&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/52361

Excited-state triple proton transfer (ESTPT) reactions in 7-azaindole (7AI) complexed with two water,with one water and one methanol, and with two methanol molecules were investigated by dynamicssimulations in the first excited state computed with the second order algebraic-diagrammatic construc-tio...