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Energies and structures of isomers of Cl2O2 calculated by density functional methods

✍ Scribed by Young-Kyu Han; Kyoung Hoon Kim; Yoon Sup Lee; Kyoung K. Baeck

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electronic Structure Study of the N 2 O

✍ Wang, Feng; Harcourt, Richard D. 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 695 KB

Local Density Functional Theory Analysis

✍ Adam, Kenneth R.; Atkinson, Ian M.; Lindoy, Leonard F. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 48 KB

Electronic structures and spectroscopic

✍ Xiaojing Wang; Xiaohong Wan; Hui Zhou; Seiichi Takami; Momoji Kubo; Akira Miyamo 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 111 KB

Total energy of (CH)8 isomers calculated

✍ Hiizu Iwamura; Kazuhiko Morio; Michinori ōki; Tosiyasu L. Kunii 📂 Article 📅 1970 🏛 Elsevier Science 🌐 French ⚖ 186 KB

The CND0/2 calculations have since introduction by Pople and coworkers 1 proved quite satisfactory in reproducing molecular geometry. The method

Protonation of the ozone analogue S 2 O:

✍ RANDALL D. DAVY EVANGELOS SKOUMBOUR, 📂 Article 📅 1998 🏛 Taylor and Francis Group 🌐 English ⚖ 222 KB

Density Functional Study on the Structur

✍ Sumathi, R.; Hendrickx, M. 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 176 KB