Empirical Discriminability of Two Models for Stochastic Relationship Between Additive Components of Response Time

Two-response-time model based on CM2/IND

Two-response-time model based on CM2/INDO/S2 electrostatic potentials for the dielectric polarization component of solvatochromic shifts on vertical excitation energies

✍ Jiabo Li; Christopher J. Cramer; Donald G. Truhlar 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 573 KB

A model is presented for the electrostatic component of solvatochromic shifts on vertical electronic excitation energies. The model, called vertical electrostatic model 42 (VEM42), is based on representing the solute by a set of distributed atomic monopoles obtained by charge model 2 (CM2) and repre