✦ LIBER ✦

The barrier to rotation for the ground state of ethylene: a DC SCF approach

✍ Scribed by M.H. Wood

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 369 KB
Volume: 24
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)85441-2

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A concise approach to the calculation of

A concise approach to the calculation of the polaron ground-state energy

✍ Kelin Wang; Qinghu Chen; Shaolong Wan 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 303 KB

A nonlinear programming approach to lowe

A nonlinear programming approach to lower bounds for the ground-state energy of helium

✍ I. Porras; D. Matthew Feldmann; Frederick W. King 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 170 KB 👁 3 views

Lower-bound estimates for the ground-state energy of the helium atom are determined using nonlinear programming techniques. Optimized lower bounds are determined for single-particle, radially correlated, and general correlated wave functions. The local nature of the method employed makes it a very s

A variational approach to the ground sta

A variational approach to the ground state of the two-dimensional electron gas

✍ Pierre F. Maldague; Donald M. Nicholson 📂 Article 📅 1980 🏛 Elsevier Science ⚖ 382 KB

CAS SCF ECP calculations on the optical

CAS SCF ECP calculations on the optical spectrum of Mo2(O2CH)4 and on the barrier to internal rotation in Mo2Cl84−

✍ A. Strömberg; L.G.M. Pettersson; U. Wahlgren 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 43 KB

ChemInform Abstract: The Rotational Barr

ChemInform Abstract: The Rotational Barriers of Groups Containing Silicon in Substituted Benzenes. A Theoretical Approach to the Silicon Substituent Effect.

✍ F. TADDEI 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 24 KB 👁 2 views

Approach to designing rotating drum bior

Approach to designing rotating drum bioreactors for solid-state fermentation on the basis of dimensionless design factors

✍ Matthew T. Hardin; David A. Mitchell; Tony Howes 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 126 KB 👁 2 views

The development of large-scale solid-state fermentation (SSF) processes is hampered by the lack of simple tools for the design of SSF bioreactors. The use of semifundamental mathematical models to design and operate SSF bioreactors can be complex. In this work, dimensionless design factors are used