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DFT Studies of the Molecular Structures and Conformational Processes of 1,2-, 1,3- and 1,4-Dithiepane

โœ Scribed by Mina HAGHDADI; Mahshid HAMZEHLUIYAN

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
149 KB
Volume
26
Category
Article
ISSN
0256-7660

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๐Ÿ“œ SIMILAR VOLUMES

Ab initio molecular orbital study of ene
Ab initio molecular orbital study of energies and conformers of 3,4-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiin, 4H-1,3-dithiin, and 2,3-dihydro-1,4-dithiin
โœ Freeman, Fillmore; Lee, Choonsun; Po, Henry N.; Hehre, Warren J. ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 228 KB ๐Ÿ‘ 2 views

Optimized geometries and energies for 3,4-dihydro-1,2-dithiin ลฝ . ลฝ . ลฝ . ลฝ . 1 , 3,6-dihydro-1,2-dithiin 2 , 4H-1,3-dithiin 3 , and 2,3-dihydro-1,4-dithiin 4 were calculated using ab initio 6-31G U and MP2r6-31G U rr6-31G U methods. At the MP2r6-31G U rr6-31G U level, the half-chair conformer of 4

Synthesis and conformational studies of
Synthesis and conformational studies of pentahydroxy[2.1.2.1.1]- and hexahydroxy [2.1.1.1.1.1]metacyclophanes
โœ Yamato, Takehiko ;Yasumatsu, Masashi ;Doamekpor, Louis Korbla ;Nagayama, Souichi ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 457 KB

## Abstract Baseโ€catalyzed condensation of 1,2โ€bis[5โ€__tert__โ€butylโ€3โ€(5โ€__tert__โ€butylsalicyl)โ€2โ€hydroxyphenyl]ethane (8) with formaldehyde in xylene affords a novel ethyleneโ€bridged calixareneโ€analogous macrocyclic metacyclophane. However, not the desired 2 has been obtained. Instead, the novel m

High-Resolution Microwave and Infrared M
High-Resolution Microwave and Infrared Molecular-Beam Studies of the Conformers of 1,1,2,2-Tetrafluoroethane
โœ Stephen C. Stone; Laura A. Philips; G.T. Fraser; F.J. Lovas; Li-Hong Xu; S.W. Sh ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 405 KB

High-resolution microwave and infrared molecular-beam spectra have been measured for 1,1,2,2-tetrafluoroethane (HFC134). For the higher energy, polar, C 2 symmetry, gauche conformer, microwave spectra have been recorded for the normal and mono-13 C isotopomers and analyzed to determine a C-C bond le