Searching for Conical Intersections of Potential Energy Surfaces with the ONIOM Method: Application to Previtamin D

Michael J. Bearpark; Susan M. Larkin; Thom Vreven

doi:10.1021/jp802204w

Searching for Conical Intersections of Potential Energy Surfaces with the ONIOM Method: Application to Previtamin D

The Journal of Physical Chemistry A ◽

10.1021/jp802204w ◽

2008 ◽

Vol 112 (31) ◽

pp. 7286-7295 ◽

Cited By ~ 37

Author(s):

Michael J. Bearpark ◽

Susan M. Larkin ◽

Thom Vreven

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersections ◽

Energy Surfaces ◽

Oniom Method

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Conical intersections between three lowest adiabatic potential energy surfaces of the oxonium ion

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00583-9 ◽

2003 ◽

Vol 373 (3-4) ◽

pp. 258-265 ◽

Cited By ~ 1

Author(s):

F Di Giacomo ◽

F Schneider ◽

E.E Nikitin

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Adiabatic Potential ◽

Conical Intersections ◽

Energy Surfaces

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Conical intersections between the two lowest 1A′ potential energy surfaces of HCN, and the role of three-body effects

The Journal of Chemical Physics ◽

10.1063/1.474159 ◽

1997 ◽

Vol 107 (23) ◽

pp. 10014-10028 ◽

Cited By ~ 3

Author(s):

A. J. C. Varandas ◽

A. I. Voronin ◽

P. Jimeno

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersections ◽

Three Body ◽

Energy Surfaces

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Erratum: “Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics” [J. Chem. Phys. 123, 014306 (2005)]

The Journal of Chemical Physics ◽

10.1063/1.2834928 ◽

2008 ◽

Vol 128 (8) ◽

pp. 089901 ◽

Cited By ~ 2

Author(s):

Ezinvi Baloïtcha ◽

Gabriel G. Balint-Kurti

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Chem Phys ◽

Conical Intersections ◽

Energy Surfaces

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Nonadiabatic Photodissociation of the Hydroxymethyl Radical from the 22A State. Surface Hopping Simulations Based on a Full Nine-Dimensional Representation of the 1,2,32A Potential Energy Surfaces Coupled by Conical Intersections

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b00758 ◽

2015 ◽

Vol 119 (28) ◽

pp. 7498-7509 ◽

Cited By ~ 11

Author(s):

Christopher L. Malbon ◽

David R. Yarkony

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersections ◽

Dimensional Representation ◽

Surface Hopping ◽

Hydroxymethyl Radical ◽

Energy Surfaces

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On the description of potential energy surfaces exhibiting conical intersections: a compact representation of the energies and derivative couplings and locally diabatic bases for the HOH and OHH portions of the 11 A-21 A seam of conical intersection in water

Molecular Physics ◽

10.1080/002689798168673 ◽

1998 ◽

Vol 93 (6) ◽

pp. 971-983 ◽

Cited By ~ 7

Author(s):

DAVID R. YARKONY

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

Compact Representation ◽

Conical Intersections ◽

Energy Surfaces

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On the construction of quasidiabatic state representations of bound adiabatic state potential energy surfaces coupled by accidental conical intersections: Incorporation of higher order terms

The Journal of Chemical Physics ◽

10.1063/1.3523344 ◽

2011 ◽

Vol 134 (4) ◽

pp. 044101 ◽

Cited By ~ 17

Author(s):

Joseph Dillon ◽

David R. Yarkony ◽

Michael S. Schuurman

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Higher Order ◽

Conical Intersections ◽

Higher Order Terms ◽

State Potential ◽

Energy Surfaces ◽

Adiabatic State

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Intersections of potential energy surfaces of short-lived states: The complex analogue of conical intersections

The Journal of Chemical Physics ◽

10.1063/1.1640615 ◽

2004 ◽

Vol 120 (7) ◽

pp. 3201-3214 ◽

Cited By ~ 37

Author(s):

Sven Feuerbacher ◽

Thomas Sommerfeld ◽

Lorenz S. Cederbaum

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersections ◽

Complex Analogue ◽

Energy Surfaces

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Reply to “Comment on ‘Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics’ ” [J. Chem. Phys. 123, 014306 (2005)]

The Journal of Chemical Physics ◽

10.1063/1.2745798 ◽

2007 ◽

Vol 126 (24) ◽

pp. 247102 ◽

Cited By ~ 1

Author(s):

Gabriel G. Balint-Kurti ◽

Ezinvi Baloïtcha

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Chem Phys ◽

Conical Intersections ◽

Energy Surfaces

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Comment on “Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics” [J. Chem. Phys. 123, 014306 (2005)]

The Journal of Chemical Physics ◽

10.1063/1.2745797 ◽

2007 ◽

Vol 126 (24) ◽

pp. 247101 ◽

Cited By ~ 3

Author(s):

S. Yu. Grebenshchikov ◽

R. Schinke

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Chem Phys ◽

Conical Intersections ◽

Energy Surfaces

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Core structure dependence of cycloreversion dynamics in diarylethene analogs

Physical Chemistry Chemical Physics ◽

10.1039/c9cp05797h ◽

2020 ◽

Vol 22 (6) ◽

pp. 3314-3328

Author(s):

Chana R. Honick ◽

Garvin M. Peters ◽

Jamie D. Young ◽

John D. Tovar ◽

Arthur E. Bragg

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Core Structure ◽

Conical Intersections ◽

Structure Dependence ◽

State Potential ◽

Energy Surfaces

Increased core rigidity in diarylethene-type photoswitches results in shallower excited-state potential energy surfaces and faster funneling towards the conical intersections from which cycloreversion and nonreactive deactivation occur.

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