✦ LIBER ✦

Flexible-Boundary Quantum-Mechanical/Molecular-Mechanical Calculations: Partial Charge Transfer between the Quantum-Mechanical and Molecular-Mechanical Subsystems

✍ Scribed by Zhang, Yan; Lin, Hai

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Redistributed Charge and Dipole Schemes

✍ Lin, Hai; Truhlar, Donald G. 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 132 KB

Multiconfiguration Molecular Mechanics B

✍ Lin, Hai; Zhao, Yan; Tishchenko, Oksana; Truhlar, Donald G. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 181 KB

Self-Consistent Polarization of the Boun

✍ Zhang, Yan; Lin, Hai; Truhlar, Donald G. 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 167 KB

Geometry optimization using tuned and ba

✍ Wang, Bo; Truhlar, Donald G. 📂 Article 📅 2011 🏛 Royal Society of Chemistry 🌐 English ⚖ 870 KB

A regularized and renormalized electrost

✍ Biswas, P. K.; Gogonea, V. 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 409 KB

The dynamo library for molecular simulat

✍ Martin J. Field; Marc Albe; Céline Bret; Flavien Proust-De Martin; Aline Thomas 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 235 KB 👁 2 views