By Randolph P. Thummel

ISBN-10: 1559386983

ISBN-13: 9781559386982

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55 From the pair of 1A1 and 3A 2 states, the latter is expected to be of lower energy. If Hund's rule is applicable to this system, then the higher spin system is preferred. Also, AM 1 calculations prefer the triplet state at both the HF level and various levels of CI treatment. In view of the above considerations, the ab initio study 55 was limited to three dianionic species: the triplet dianion of C5v symmetry, and two closed-shell singlet dianions of C s symmetry for the molecular network and A' and A" symmetries of the HOMO, respectively.

2. Addition Reactions . . . . . . . . . . . . . . 3. Rearrangements . . . . . . . . . . . . . . . 4. Reactions with Transition Metal Reagents . . . . . . . . 5. Reactions of Alkylidenecycloproparenes . . . . . . . . . Acknowledgments . . . . . . . . . . . . . . . . References . . . . . . . . . . . . . . . . . . Advances in Theoretically Interesting Molecules Volume 3, pages 37-107.

3. Rearrangements . . . . . . . . . . . . . . . 4. Reactions with Transition Metal Reagents . . . . . . . . 5. Reactions of Alkylidenecycloproparenes . . . . . . . . . Acknowledgments . . . . . . . . . . . . . . . . References . . . . . . . . . . . . . . . . . . Advances in Theoretically Interesting Molecules Volume 3, pages 37-107. Copyright 9 1995 by JAI Press Inc. All rights of reproduction in any form reserved. ISBN: 1-55938-698-3 37 38 40 40 50 59 65 67 67 73 77 78 78 85 93 95 97 100 100 38 PAUL MULLER 1.

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Advances in Theoretically Interesting Molecules: Volume 3 by Randolph P. Thummel


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