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Performance of the AM1, PM3, and SCC-DFTB methods in the study of conjugated Schiff base molecules

✍ Scribed by Hongyi Zhou; Emad Tajkhorshid; Thomas Frauenheim; Sándor Suhai; Marcus Elstner

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Parameters of average molecular polariza

✍ Hiroshi Kagawa; Atsushi Ichimura; Nikita A Kamka; Kazuhide Mori 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 177 KB

A theoretical study of tautomerism of 2,

✍ Pervin Ünal Civcir 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 111 KB

Calibration of the Quantum/Classical Ham

✍ Luque, F. J.; Reuter, N.; Cartier, A.; Ruiz-López, M. F. 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 111 KB

AM1 and PM3 study of tautomerism of xant

✍ P.Ü Civcir 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 111 KB

AM1 and PM3 Study of Tautomerism of Hypo

✍ PervinÜnal Civcir 📂 Article 📅 2001 🏛 Springer 🌐 English ⚖ 83 KB

Tautomerism of 6-thioguanine in the gas

✍ P.U Civcir 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 115 KB