Modeling Photochemical [4 + 4] Cycloadditions: Conical Intersections Located with CASSCF for Butadiene + Butadiene-Reference-Cited by-同舟云学术

Modeling Photochemical [4 + 4] Cycloadditions: Conical Intersections Located with CASSCF for Butadiene + Butadiene

Published:1997-01-01 Issue:4 Volume:119 Page:709-718
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Bearpark Michael J.¹,Deumal Merce¹,Robb Michael A.¹,Vreven Thom¹,Yamamoto Naoko¹,Olivucci Massimo¹,Bernardi Fernando¹

Affiliation:

1. Contribution from the Department of Chemistry, King's College London, Strand, London WC2R 2LS, U.K., and Dipartimento di Chimica ‘G. Ciamician' dell' Universitá di Bologna, Via Selmi 2, 40126 Bologna, Italy

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja962576n

Reference99 articles.

1. The Conservation of Orbital Symmetry

2. The Conservation of Orbital Symmetry

3. Model calculations of photochemical reactivity

4. Excited potential energy hypersurfaces for hydrogen (H4) at trapezoidal geometries. Relation to photochemical 2s + 2s processes

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