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Nuclear-Electronic Orbital Method within the Fragment Molecular Orbital Approach†

✍ Scribed by Auer, Benjamin; Pak, Michael V.; Hammes-Schiffer, Sharon

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Modeling Positrons in Molecular Electron

✍ Adamson, Paul E.; Duan, Xiaofeng F.; Burggraf, Larry W.; Pak, Michael V.; Swalin 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 110 KB

Multilayer Formulation of the Fragment M

✍ Fedorov, Dmitri G.; Ishida, Toyokazu; Kitaura, Kazuo 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 193 KB

Electron Delocalization and Aromaticity

✍ Eduard Matito; Ferran Feixas; Miquel Sola 📂 Article 📅 2007 🏛 John Wiley and Sons ⚖ 11 KB

Reducing the scaling of the fragment mol

✍ Cheol Ho Choi; Dmitri G. Fedorov 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 902 KB

Development of the four-body corrected f

✍ Tatsuya Nakano; Yuji Mochizuki; Katsumi Yamashita; Chiduru Watanabe; Kaori Fukuz 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 474 KB

Importance of the hybrid orbital operato

✍ Takeshi Nagata; Dmitri G. Fedorov; Kazuo Kitaura 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 627 KB