✦ LIBER ✦

An efficient direct method for geometry optimization of large molecules in internal coordinates

✍ Scribed by Paizs, Béla; Fogarasi, Géza; Pulay, Peter

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Geometry optimization in delocalized int

✍ Baker, Jon; Kinghorn, Don; Pulay, Peter 📂 Article 📅 1999 🏛 American Institute of Physics 🌐 English ⚖ 248 KB

The use of internal coordinates in the v

✍ M.B. Smirnov 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 496 KB

Development of an Efficient Geometry Opt

✍ Takeuchi, Hiroshi 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 347 KB

A direct method for obtaining cartesian

✍ M.Yu. Kornilov; T.A. Tolstukha; P. Kadziauskas; E. Butkus 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 490 KB

An infeasible method of large-system opt

✍ N. Watanabe; M. Matsubara 📂 Article 📅 1978 🏛 Springer 🌐 English ⚖ 547 KB

Analytical energy gradients and geometry

✍ Zhao, Qingsheng; Yang, Weitao 📂 Article 📅 1995 🏛 American Institute of Physics 🌐 English ⚖ 395 KB