Crossed molecular beams study of the M+(1S)+Na(3 2S)→M+(1S)+Na(3 2P) collision systems (M+=Li+, Na+, K+, Cs+) in the 0.05–3.00 keV energy range

Theoretical study of the inner-sphere en

Theoretical study of the inner-sphere energy barrier of the transition-metal complex M(H2O)3.0.CO;2-P/asset/equation/tex2gif-stack-1.gif?v=1&t=h5o1pud7&s=a0ab50040c069331bc898fed99d175dba140fcfd" class="inlineGraphic"> in electron-transfer process

✍ Dongju Zhang; Yuxiang Bu; Chengbu Liu 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 101 KB 👁 2 views

Two theoretical models, a reorganization model and an activation model, are presented for accurately determining the energy barrier of the type Ž . 2qr3q M H O of the transition-metal complexes in the electron-transfer process. Ab initio 2 6 Ž . 2qr3q calculations are carried out at UMP2r6-311G leve