✦ LIBER ✦

Structures and relative stabilities of the novel sandwich complexes related to pentalene: a density functional study

✍ Scribed by Ming-Der Su; San-Yan Chu

Book ID: 108312660
Publisher: Elsevier Science
Year: 1998
Tongue: English
Weight: 196 KB
Volume: 298
Category: Article
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(98)01177-4

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structures and stabilities of asymmetric

Structures and stabilities of asymmetric fullerene dimers: A density functional theory study

✍ Lee, Seung Mi; Kim, Kyung Joong; Kim, Hwanuk 📂 Article 📅 2013 🏛 The Korean Physical Society 🌐 English ⚖ 306 KB

On the Relative Stabilities of Singlet a

On the Relative Stabilities of Singlet and Triplet Oxyallyl and Cyclopropanone: A Density Functional Study

✍ B. Andes Hess; Jr.; Lidia Smentek 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 221 KB 👁 2 views

Density functional calculations (B3LYP/6-31G\*) have been results of these calculations, when compared to those obtained with more sophisticated multi-determinant calcu-carried out for cyclopropanone and the singlet and triplet electronic states of oxyallyl, as well as for several bicyclic lations p

Density-Functional Study on the Structur

Density-Functional Study on the Structures, Stabilities, and Dissociation Pathways of Sc 3+ (DMSO) n Complexes ( n = 1−6)

✍ Xiao, Chuanyun; Hagelberg, Frank; El-Nahas, Ahmed M. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 275 KB

A Density Functional Theory Study of the

A Density Functional Theory Study of the Structure and Energetics of Zincate Complexes

✍ Smith, Grant D.; Bell, Richard; Borodin, Oleg; Jaffe, Richard L. 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 87 KB

Intermediates and Transition Structures

Intermediates and Transition Structures of the Benzannulation of Heteroatom-Stabilized Chromium Carbene Complexes with Ethyne: A Density Functional Study

✍ Gleichmann, Matthias M.; Dötz, Karl H.; Hess, Bernd A. 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 391 KB

Density functional theory with an approx

Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes

✍ Wesołowski, T. A.; Ellinger, Y.; Weber, J. 📂 Article 📅 1998 🏛 American Institute of Physics 🌐 English ⚖ 334 KB