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Calculation of molecular geometries and force constants from CNDO wavefunctions by the force method

✍ Scribed by Pulay, P.; Török, F.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of optimum geometries and fo

✍ Meenakshisundaram Kanakavel; Jayaraman Chandrasekhar; Sankaran Subramanian; Surj 📂 Article 📅 1976 🏛 Springer 🌐 English ⚖ 612 KB

Calculation of optimum geometries and fo

✍ Meenakshisundaram Kanakavel; Jayaraman Chandrasekhar; Sankaran Subramanian; Surj 📂 Article 📅 1978 🏛 Springer 🌐 English ⚖ 16 KB

Calculation of fully optimized geometrie

✍ Ferenc Török; Ágnes Hegedüs; Péter Pulay 📂 Article 📅 1973 🏛 Springer 🌐 English ⚖ 266 KB

Calculation of the in-plane force consta

✍ L. Harsányi; F. Kilár 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 809 KB

Calculation of valence force constants o

✍ M. A. Kovner; A. A. Terekhov; A. Yu. Slepukhin 📂 Article 📅 1973 🏛 Springer 🌐 English ⚖ 88 KB

An SCF?MO?CNDO study of equilibrium geom

✍ Boyd, R. J.; Whitehead, M. A. 📂 Article 📅 1972 🏛 The Royal Society of Chemistry 🌐 English ⚖ 610 KB