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Ab initio study on the molecular structure of trans-1,2-dihydroxy-1,2-dihydro-8-fluoronaphthalene

✍ Scribed by Beland, Frederick A.; Melchior, William B.; Klimkowski, V.J.; Schäfer, Lothar

Book ID
120162086
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
615 KB
Volume
33
Category
Article
ISSN
0304-3835

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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
✍ Freeman, Fillmore; Lee, Choonsun; Po, Henry N.; Hehre, Warren J. 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 228 KB 👁 2 views

Optimized geometries and energies for 3,4-dihydro-1,2-dithiin Ž . Ž . Ž . Ž . 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