Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics

Michael A. Robb; Michael J. Bearpark; Martial Boggio-Pasqua; Patricia A. Hunt; Martin J. Paterson; Massimo Olivucci; Lluis Blancafort; Gerrit Groenhof

Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics

Michael A. Robb
, Michael J. Bearpark
, Martial Boggio-Pasqua
, Patricia A. Hunt
, Martin J. Paterson
, Massimo Olivucci
, Lluis Blancafort
, Gerrit Groenhof

School of Engineering & Physical Sciences

Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed)

450 Downloads (Pure)

Original language	English
Title of host publication	Quantum Dynamics at Conical Intersections
Editors	Graham A. Worth, Stuart C. Althorpe
Place of Publication	Daresbury
Publisher	CCP6
Pages	1-4
ISBN (Print)	0-9545289-1-3
Publication status	Published - 2004

Access to Document

Download pdfFinal published version, 42.1 KB

http://www.ccp6.ac.uk/booklets/CCP6-2004_qdyn_conicint.pdf

Cite this

Robb, M. A., Bearpark, M. J., Boggio-Pasqua, M., Hunt, P. A., Paterson, M. J., Olivucci, M., Blancafort, L., & Groenhof, G. (2004). Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics. In G. A. Worth, & S. C. Althorpe (Eds.), Quantum Dynamics at Conical Intersections (pp. 1-4). CCP6. http://www.ccp6.ac.uk/booklets/CCP6-2004_qdyn_conicint.pdf

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title = "Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics",

author = "Robb, \{Michael A.\} and Bearpark, \{Michael J.\} and Martial Boggio-Pasqua and Hunt, \{Patricia A.\} and Paterson, \{Martin J.\} and Massimo Olivucci and Lluis Blancafort and Gerrit Groenhof",

year = "2004",

language = "English",

isbn = "0-9545289-1-3",

pages = "1--4",

editor = "Worth, \{Graham A.\} and Althorpe, \{Stuart C.\}",

booktitle = "Quantum Dynamics at Conical Intersections",

publisher = "CCP6",

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Robb, MA, Bearpark, MJ, Boggio-Pasqua, M, Hunt, PA, Paterson, MJ, Olivucci, M, Blancafort, L & Groenhof, G 2004, Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics. in GA Worth & SC Althorpe (eds), Quantum Dynamics at Conical Intersections. CCP6, Daresbury, pp. 1-4. <http://www.ccp6.ac.uk/booklets/CCP6-2004_qdyn_conicint.pdf>

Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics. / Robb, Michael A.; Bearpark, Michael J.; Boggio-Pasqua, Martial et al.
Quantum Dynamics at Conical Intersections. ed. / Graham A. Worth; Stuart C. Althorpe. Daresbury: CCP6, 2004. p. 1-4.

Research output: Chapter in Book/Report/Conference proceeding › Chapter (peer-reviewed)

TY - CHAP

T1 - Conical intersections and photochemical mechanisms: Characterising the conical intersection hyperline using gradients, second-derivatives, and dynamics

AU - Robb, Michael A.

AU - Bearpark, Michael J.

AU - Boggio-Pasqua, Martial

AU - Hunt, Patricia A.

AU - Paterson, Martin J.

AU - Olivucci, Massimo

AU - Blancafort, Lluis

AU - Groenhof, Gerrit

PY - 2004

Y1 - 2004

M3 - Chapter (peer-reviewed)

SN - 0-9545289-1-3

SP - 1

EP - 4

BT - Quantum Dynamics at Conical Intersections

A2 - Worth, Graham A.

A2 - Althorpe, Stuart C.

PB - CCP6

CY - Daresbury

ER -