Statforms. Formats for Elementary Statistical Calculations.by H. C. Dawkins

Kinetics and mechanisms for reactions of

Kinetics and mechanisms for reactions of HNO with CH3 and C6H5 studied by quantum-chemical and statistical-theory calculations

✍ Y. M. Choi; M. C. Lin 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 192 KB 👁 1 views

## Abstract Kinetics and mechanisms for the reactions of HNO with CH~3~ and C~6~H~5~ have been investigated by ab initio molecular orbital (MO) and transition‐state theory (TST) and/or Rice‐Ramsperger‐Kassel‐Marcus/Master Equation (RRKM/ME) calculations. The G2M(RCC, MP2)//B3LYP/6‐31G(d) method was