Predicting pathways for terpene formation from first principles-routes to known and new sesquiterpenes

Miho Isegawa; Satoshi Maeda; Dean J. Tantillo; Keiji Morokuma

doi:10.1039/c3sc53293c

Predicting pathways for terpene formation from first principles-routes to known and new sesquiterpenes

Miho Isegawa, Satoshi Maeda, Dean J. Tantillo, Keiji Morokuma

研究成果: ジャーナルへの寄稿 › 学術誌 › 査読

23 被引用数 (Scopus)

抄録

Application of the Artificial Force Induced Reaction (AFIR) method to the prediction of cyclization/rearrangement pathways for carbocation precursors to sesquiterpenes is described. This method captures many of the features revealed in previous studies as well as new ones, including a pathway to a sesquiterpene not yet isolated in nature that we suspect will be isolated in time.

本文言語	英語
ページ（範囲）	1555-1560
ページ数	6
ジャーナル	Chemical Science
巻	5
号	4
DOI	https://doi.org/10.1039/c3sc53293c
出版ステータス	出版済み - 4月 2014
外部発表	はい

!!!All Science Journal Classification (ASJC) codes

化学 (全般)

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引用スタイル

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title = "Predicting pathways for terpene formation from first principles-routes to known and new sesquiterpenes",

abstract = "Application of the Artificial Force Induced Reaction (AFIR) method to the prediction of cyclization/rearrangement pathways for carbocation precursors to sesquiterpenes is described. This method captures many of the features revealed in previous studies as well as new ones, including a pathway to a sesquiterpene not yet isolated in nature that we suspect will be isolated in time.",

author = "Miho Isegawa and Satoshi Maeda and Tantillo, {Dean J.} and Keiji Morokuma",

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T1 - Predicting pathways for terpene formation from first principles-routes to known and new sesquiterpenes

AU - Isegawa, Miho

AU - Maeda, Satoshi

AU - Tantillo, Dean J.

AU - Morokuma, Keiji

PY - 2014/4

Y1 - 2014/4

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AB - Application of the Artificial Force Induced Reaction (AFIR) method to the prediction of cyclization/rearrangement pathways for carbocation precursors to sesquiterpenes is described. This method captures many of the features revealed in previous studies as well as new ones, including a pathway to a sesquiterpene not yet isolated in nature that we suspect will be isolated in time.

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Predicting pathways for terpene formation from first principles-routes to known and new sesquiterpenes

抄録

!!!All Science Journal Classification (ASJC) codes

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