Insights into the Photodecomposition of Azidomethyl Methyl Sulfide: A S2/S1 Conical Intersection on Nitrene Potential Energy Surfaces Leading to the Formation of S-Methyl-N-sulfenylmethanimine

Manuel Algarra; Juan Soto; Luis Pinto da Silva; M. Soledad Pino-González; J. Enrique Rodríguez-Borges; Joelle Mascetti; Fabien Borget; Adel Reisi-Vanani; Rafael Luque

doi:10.1021/acs.jpca.9b11157

Insights into the Photodecomposition of Azidomethyl Methyl Sulfide: A S2/S1 Conical Intersection on Nitrene Potential Energy Surfaces Leading to the Formation of S-Methyl-N-sulfenylmethanimine

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b11157 ◽

2020 ◽

Vol 124 (10) ◽

pp. 1911-1921 ◽

Cited By ~ 3

Author(s):

Manuel Algarra ◽

Juan Soto ◽

Luis Pinto da Silva ◽

M. Soledad Pino-González ◽

J. Enrique Rodríguez-Borges ◽

...

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

Methyl Sulfide ◽

Energy Surfaces

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Real-Time Tunneling Dynamics through Adiabatic Potential Energy Surfaces Shaped by a Conical Intersection

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.0c01892 ◽

2020 ◽

Vol 11 (16) ◽

pp. 6730-6736 ◽

Cited By ~ 1

Author(s):

Kyung Chul Woo ◽

Sang Kyu Kim

Keyword(s):

Potential Energy ◽

Real Time ◽

Potential Energy Surfaces ◽

Adiabatic Potential ◽

Conical Intersection ◽

Tunneling Dynamics ◽

Energy Surfaces

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Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior

The Journal of Chemical Physics ◽

10.1063/1.459094 ◽

1990 ◽

Vol 93 (3) ◽

pp. 1658-1669 ◽

Cited By ~ 119

Author(s):

U. Manthe ◽

H. Köppel

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

Energy Surfaces

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On the dynamics of a triatomic system in the vicinity of a conical intersection between electronic potential-energy surfaces

Chemical Physics ◽

10.1016/0301-0104(85)85045-x ◽

1985 ◽

Vol 93 (1) ◽

pp. 13-20 ◽

Cited By ~ 6

Author(s):

V.I. Osherov ◽

L.V. Poluyanov ◽

A.I. Voronin

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

Energy Surfaces ◽

Electronic Potential

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DFT study of potential energy surfaces and conical intersection structures of Rhenium(I) tricarbonyl diimine complexes

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.05.014 ◽

2014 ◽

Vol 1043 ◽

pp. 71-78 ◽

Cited By ~ 8

Author(s):

V.I. Baranovskii ◽

D.A. Maltsev

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Dft Study ◽

Conical Intersection ◽

Energy Surfaces ◽

Diimine Complexes

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Role of positional disorder in the spectra of conjugated polymer aggregates: a conical intersection of potential energy surfaces

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/43/23/235104 ◽

2010 ◽

Vol 43 (23) ◽

pp. 235104 ◽

Cited By ~ 2

Author(s):

Kinshuk Banerjee ◽

Gautam Gangopadhyay

Keyword(s):

Potential Energy ◽

Conjugated Polymer ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

Positional Disorder ◽

Polymer Aggregates ◽

Energy Surfaces

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Quenching of Li ( 2 P) by H 2 : potential energy surfaces, conical intersection seam, and diabatic bases

Theoretical Chemistry Accounts ◽

10.1007/s002140050376 ◽

1998 ◽

Vol 100 (1-4) ◽

pp. 154-170 ◽

Cited By ~ 10

Author(s):

Eugene S. Kryachko ◽

David R. Yarkony

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

Energy Surfaces

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Effect of opsin on the shape of the potential energy surfaces at the conical intersection of the Rhodopsin chromophore

Chemical Physics ◽

10.1016/j.chemphys.2008.03.035 ◽

2008 ◽

Vol 347 (1-3) ◽

pp. 483-491 ◽

Cited By ~ 8

Author(s):

P.B. Coto ◽

A. Strambi ◽

M. Olivucci

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

Energy Surfaces

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Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection

Journal of Chemical Theory and Computation ◽

10.1021/ct500154k ◽

2014 ◽

Vol 10 (8) ◽

pp. 3074-3084 ◽

Cited By ~ 103

Author(s):

Samer Gozem ◽

Federico Melaccio ◽

Alessio Valentini ◽

Michael Filatov ◽

Miquel Huix-Rotllant ◽

...

Keyword(s):

Density Functional Theory ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Density Functional ◽

Equation Of Motion ◽

Conical Intersection ◽

Coupled Cluster ◽

Functional Theory ◽

Energy Surfaces

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Unanticipated confluences of seams of conical intersection: Reinvestigating intersecting potential-energy surfaces using new tools. I. C(3P)+H2

The Journal of Chemical Physics ◽

10.1063/1.477398 ◽

1998 ◽

Vol 109 (17) ◽

pp. 7047-7050 ◽

Cited By ~ 11

Author(s):

David R. Yarkony

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Conical Intersection ◽

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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