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First-Principles Studies of the Dynamics of [2]Rotaxane Molecular Switches

✍ Scribed by Phoa, Kinyip; Neaton, J. B.; Subramanian, Vivek

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles molecular dynamics stud

✍ Stadler, R; Gillan, M J 📂 Article 📅 2000 🏛 Institute of Physics 🌐 English ⚖ 114 KB

Efficiency of π-π Tunneling in [2]Rotaxa

✍ Kim, Y.-H.; Goddard, W.A. 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 325 KB

First-Principles Molecular Dynamics Stud

✍ Frank, Irmgard; Marx, Dominik; Parrinello, Michele 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 62 KB

Exploring the Hydration of Pb2+: Ab Init

✍ Christophe Gourlaouen; Hélène Gérard; Olivier Parisel 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 417 KB 👁 2 views

Density Functional Theory Studies of the

✍ Jang, Yun Hee; Hwang, Sungu; Kim, Yong-Hoon; Jang, Seung Soon; Goddard, William 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 695 KB

First Principles Molecular Dynamics of D

✍ Surh, Michael; Barbee, T.; Yang, L. 📂 Article 📅 2001 🏛 The American Physical Society 🌐 English ⚖ 121 KB