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Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data

✍ Scribed by Antonio Grassi; Giuseppe M. Lombardo; Giuseppe C. Pappalardo

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Derivation of Force Field Parameters for

✍ Bandura, A. V.; Kubicki, J. D. 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 475 KB

Back Cover: Ab initio derived force-fiel

✍ Anke Butenuth; Gianpietro Moras; Julian Schneider; Mohammad Koleini; Susan Köppe 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 222 KB

Force field and vibrational assignment f

✍ György Bánhegyi; Géza Fogarasi; Péter Pulay 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 907 KB

An ab initio study of the structure, vib

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The molecular structure of pyridine in t

✍ W. Pyckhout; N. Horemans; C. Van Alsenoy; H.J. Geise; D.W.H. Rankin 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 840 KB