AustralieFrV1, PascalFrancis, Curation, bibRecord, 004336

A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

Identifieur interne : 004336 ( PascalFrancis/Curation ); précédent : 004335; suivant : 004337

A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

Auteurs : L. Rubio-Lago [Espagne] ; J. D. Rodriguez [Espagne] ; A. Garcia-Vela [Espagne] ; M. G. Gonzalez [Espagne] ; G. A. Amaral [Espagne] ; L. Banares [Espagne]

Source :

PCCP. Physical chemistry chemical physics : (Print) [ 1463-9076 ] ; 2011.

RBID : Pascal:11-0291000

Descripteurs français

Pascal (Inist)
- Formation image, Paquet onde, Photodissociation, Etat excité, Etude comparative, Etat fondamental, Résonance, Ionisation multiphotonique, Energie cinétique, Distribution énergie, Calcul ab initio, Modèle, Surface énergie potentielle, Photoionisation, Etude théorique, 3380G, 3115A.

English descriptors

KwdEn :
- Ab initio calculations, Comparative study, Energy distribution, Excited state, Ground state, Imaging, Kinetic energy, Models, Multiphoton ionization, Photodissociation, Photoionization, Potential energy surfaces, Resonance, Theoretical study, Wave packet.

Abstract

The role of the conical intersection between the ¹Q₁ and ³Q₀ excited states in the photodissociation of CH₃I at 304 nm is investigated drawing a comparison between the adiabatic-through direct absorption to the ³Q₁ state-and non-adiabatic-via the ¹Q₁ → ³Q₀ conical intersection-production of I atoms in the ground ²P_3/2 state. The versatility of the slice imaging technique in combination with resonance enhanced multiphoton ionization (REMPI) detection of I(²P_3/2) atoms allow distinct measurements of the competing processes. The I(²P_3/2) atom kinetic energy distributions (KEDs) obtained in both cases reflect inverted vibrational progressions of the v₂ umbrella mode of the CH₃ co-product. The experimental results show a satisfactory agreement with multisurface wave packet calculations using a reduced dimensionality (pseudotriatomic) model carried out on the available ab initio potential energy surfaces.

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A09	`01`	`1`	`ENG`	`@1 Molecular Collision Dynamics`
A11	`01`	`1`		`@1 RUBIO-LAGO (L.)`
A11	`02`	`1`		`@1 RODRIGUEZ (J. D.)`
A11	`03`	`1`		`@1 GARCIA-VELA (A.)`
A11	`04`	`1`		`@1 GONZALEZ (M. G.)`
A11	`05`	`1`		`@1 AMARAL (G. A.)`
A11	`06`	`1`		`@1 BANARES (L.)`
A12	`01`	`1`		`@1 CASAVECCHIA (Piergiorgio) @9 ed.`
A12	`02`	`1`		`@1 BROUARD (Mark) @9 ed.`
A12	`03`	`1`		`@1 COSTES (Michel) @9 ed.`
A12	`04`	`1`		`@1 NESBITT (David) @9 ed.`
A12	`05`	`1`		`@1 BIESKE (Evan) @9 ed.`
A12	`06`	`1`		`@1 KABLE (Scott) @9 ed.`
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A14	`02`			`@1 Instituto de Estructura de la Materia, CSIC, C/ Serrano, 123 @2 28006 Madrid @3 ESP @Z 1 aut.`
A14	`03`			`@1 Instituto de Fisica Fundamental, CSIC, C/ Serrano, 123 @2 28006 Madrid @3 ESP @Z 3 aut.`
A15	`01`			`@1 Università degli Studi di Perugia, Dipartimento di Chimica, via Elce dio Sotto, 8 @2 06123 Perugia @3 ITA @Z 1 aut.`
A15	`02`			`@1 Oxford University, Department of Chemistry, The Physical and Theoretical Chemistry Laboratory, South Parks Road @2 Oxford, OX1 3QZ @3 GBR @Z 2 aut.`
A15	`03`			`@1 Université Bordeaux 1/CNRS UMR 5255, Institut des Sciences Moléculaires @2 33405 Talence @3 FRA @Z 3 aut.`
A15	`04`			`@1 JILA/NIST, Department of Chemistry and Biochemistry, University of Colorado, @2 Boulder, CO, 80309 @3 USA @Z 4 aut.`
A15	`05`			`@1 University of Melbourne, School of Chemistry @3 AUS @Z 5 aut.`
A15	`06`			`@1 University of Sydney, School of Chemistry @3 AUS @Z 6 aut.`
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A43	`01`			`@1 INIST @2 26801 @5 354000191573960130`
A44				`@0 0000 @1 © 2011 INIST-CNRS. All rights reserved.`
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A64	`01`	`1`		`@0 PCCP. Physical chemistry chemical physics : (Print)`
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C01	`01`		`ENG`	@0 The role of the conical intersection between the ¹Q₁ and ³Q₀ excited states in the photodissociation of CH₃I at 304 nm is investigated drawing a comparison between the adiabatic-through direct absorption to the ³Q₁ state-and non-adiabatic-via the ¹Q₁ → ³Q₀ conical intersection-production of I atoms in the ground ²P_3/2 state. The versatility of the slice imaging technique in combination with resonance enhanced multiphoton ionization (REMPI) detection of I(²P_3/2) atoms allow distinct measurements of the competing processes. The I(²P_3/2) atom kinetic energy distributions (KEDs) obtained in both cases reflect inverted vibrational progressions of the v₂ umbrella mode of the CH₃ co-product. The experimental results show a satisfactory agreement with multisurface wave packet calculations using a reduced dimensionality (pseudotriatomic) model carried out on the available ab initio potential energy surfaces.
C02	`01`	`X`		`@0 001C01`
C03	`01`	`X`	`FRE`	`@0 Formation image @5 01`
C03	`01`	`X`	`ENG`	`@0 Imaging @5 01`
C03	`01`	`X`	`SPA`	`@0 Formación imagen @5 01`
C03	`02`	`X`	`FRE`	`@0 Paquet onde @5 02`
C03	`02`	`X`	`ENG`	`@0 Wave packet @5 02`
C03	`02`	`X`	`SPA`	`@0 Paquete onda @5 02`
C03	`03`	`X`	`FRE`	`@0 Photodissociation @5 03`
C03	`03`	`X`	`ENG`	`@0 Photodissociation @5 03`
C03	`03`	`X`	`SPA`	`@0 Fotodisociación @5 03`
C03	`04`	`X`	`FRE`	`@0 Etat excité @5 04`
C03	`04`	`X`	`ENG`	`@0 Excited state @5 04`
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C03	`05`	`X`	`ENG`	`@0 Comparative study @5 05`
C03	`05`	`X`	`SPA`	`@0 Estudio comparativo @5 05`
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C03	`06`	`X`	`ENG`	`@0 Ground state @5 06`
C03	`06`	`X`	`SPA`	`@0 Estado fundamental @5 06`
C03	`07`	`X`	`FRE`	`@0 Résonance @5 07`
C03	`07`	`X`	`ENG`	`@0 Resonance @5 07`
C03	`07`	`X`	`SPA`	`@0 Resonancia @5 07`
C03	`08`	`X`	`FRE`	`@0 Ionisation multiphotonique @5 08`
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C03	`08`	`X`	`SPA`	`@0 Ionización multifotónica @5 08`
C03	`09`	`X`	`FRE`	`@0 Energie cinétique @5 09`
C03	`09`	`X`	`ENG`	`@0 Kinetic energy @5 09`
C03	`09`	`X`	`SPA`	`@0 Energía cinética @5 09`
C03	`10`	`X`	`FRE`	`@0 Distribution énergie @5 10`
C03	`10`	`X`	`ENG`	`@0 Energy distribution @5 10`
C03	`10`	`X`	`SPA`	`@0 Distribución energía @5 10`
C03	`11`	`3`	`FRE`	`@0 Calcul ab initio @5 11`
C03	`11`	`3`	`ENG`	`@0 Ab initio calculations @5 11`
C03	`12`	`X`	`FRE`	`@0 Modèle @5 12`
C03	`12`	`X`	`ENG`	`@0 Models @5 12`
C03	`12`	`X`	`SPA`	`@0 Modelo @5 12`
C03	`13`	`3`	`FRE`	`@0 Surface énergie potentielle @5 13`
C03	`13`	`3`	`ENG`	`@0 Potential energy surfaces @5 13`
C03	`14`	`X`	`FRE`	`@0 Photoionisation @5 14`
C03	`14`	`X`	`ENG`	`@0 Photoionization @5 14`
C03	`14`	`X`	`SPA`	`@0 Fotoionización @5 14`
C03	`15`	`X`	`FRE`	`@0 Etude théorique @5 15`
C03	`15`	`X`	`ENG`	`@0 Theoretical study @5 15`
C03	`15`	`X`	`SPA`	`@0 Estudio teórico @5 15`
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C03	`17`	`X`	`FRE`	`@0 3115A @4 INC @5 33`
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N44	`01`			`@1 OTO`
N82				`@1 OTO`

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Le document en format XML

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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">A slice imaging and multisurface wave packet study of the photodissociation of CH<sub>3</sub>
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<author><name sortKey="Rubio Lago, L" sort="Rubio Lago, L" uniqKey="Rubio Lago L" first="L." last="Rubio-Lago">L. Rubio-Lago</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Departamento de Química Física I, Facultad de Ciencias Químicas. Universidad Complutense de Madrid</s1>
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<author><name sortKey="Rodriguez, J D" sort="Rodriguez, J D" uniqKey="Rodriguez J" first="J. D." last="Rodriguez">J. D. Rodriguez</name>
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<author><name sortKey="Garcia Vela, A" sort="Garcia Vela, A" uniqKey="Garcia Vela A" first="A." last="Garcia-Vela">A. Garcia-Vela</name>
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<series><title level="j" type="main">PCCP. Physical chemistry chemical physics : (Print)</title>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term>
<term>Comparative study</term>
<term>Energy distribution</term>
<term>Excited state</term>
<term>Ground state</term>
<term>Imaging</term>
<term>Kinetic energy</term>
<term>Models</term>
<term>Multiphoton ionization</term>
<term>Photodissociation</term>
<term>Photoionization</term>
<term>Potential energy surfaces</term>
<term>Resonance</term>
<term>Theoretical study</term>
<term>Wave packet</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Formation image</term>
<term>Paquet onde</term>
<term>Photodissociation</term>
<term>Etat excité</term>
<term>Etude comparative</term>
<term>Etat fondamental</term>
<term>Résonance</term>
<term>Ionisation multiphotonique</term>
<term>Energie cinétique</term>
<term>Distribution énergie</term>
<term>Calcul ab initio</term>
<term>Modèle</term>
<term>Surface énergie potentielle</term>
<term>Photoionisation</term>
<term>Etude théorique</term>
<term>3380G</term>
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<front><div type="abstract" xml:lang="en">The role of the conical intersection between the <sup>1</sup>
Q<sub>1</sub>
 and <sup>3</sup>
Q<sub>0</sub>
 excited states in the photodissociation of CH<sub>3</sub>
I at 304 nm is investigated drawing a comparison between the adiabatic-through direct absorption to the <sup>3</sup>
Q<sub>1</sub>
 state-and non-adiabatic-via the <sup>1</sup>
Q<sub>1</sub>
 → <sup>3</sup>
Q<sub>0</sub>
 conical intersection-production of I atoms in the ground <sup>2</sup>
P<sub>3/2</sub>
 state. The versatility of the slice imaging technique in combination with resonance enhanced multiphoton ionization (REMPI) detection of I(<sup>2</sup>
P<sub>3/2</sub>
) atoms allow distinct measurements of the competing processes. The I(<sup>2</sup>
P<sub>3/2</sub>
) atom kinetic energy distributions (KEDs) obtained in both cases reflect inverted vibrational progressions of the v<sub>2</sub>
 umbrella mode of the CH<sub>3</sub>
 co-product. The experimental results show a satisfactory agreement with multisurface wave packet calculations using a reduced dimensionality (pseudotriatomic) model carried out on the available ab initio potential energy surfaces.</div>
</front>
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</fA06>
<fA08 i1="01" i2="1" l="ENG"><s1>A slice imaging and multisurface wave packet study of the photodissociation of CH<sub>3</sub>
I at 304 nm</s1>
</fA08>
<fA09 i1="01" i2="1" l="ENG"><s1>Molecular Collision Dynamics</s1>
</fA09>
<fA11 i1="01" i2="1"><s1>RUBIO-LAGO (L.)</s1>
</fA11>
<fA11 i1="02" i2="1"><s1>RODRIGUEZ (J. D.)</s1>
</fA11>
<fA11 i1="03" i2="1"><s1>GARCIA-VELA (A.)</s1>
</fA11>
<fA11 i1="04" i2="1"><s1>GONZALEZ (M. G.)</s1>
</fA11>
<fA11 i1="05" i2="1"><s1>AMARAL (G. A.)</s1>
</fA11>
<fA11 i1="06" i2="1"><s1>BANARES (L.)</s1>
</fA11>
<fA12 i1="01" i2="1"><s1>CASAVECCHIA (Piergiorgio)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="02" i2="1"><s1>BROUARD (Mark)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="03" i2="1"><s1>COSTES (Michel)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="04" i2="1"><s1>NESBITT (David)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="05" i2="1"><s1>BIESKE (Evan)</s1>
<s9>ed.</s9>
</fA12>
<fA12 i1="06" i2="1"><s1>KABLE (Scott)</s1>
<s9>ed.</s9>
</fA12>
<fA14 i1="01"><s1>Departamento de Química Física I, Facultad de Ciencias Químicas. Universidad Complutense de Madrid</s1>
<s2>28040 Madrid</s2>
<s3>ESP</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
</fA14>
<fA14 i1="02"><s1>Instituto de Estructura de la Materia, CSIC, C/ Serrano, 123</s1>
<s2>28006 Madrid</s2>
<s3>ESP</s3>
<sZ>1 aut.</sZ>
</fA14>
<fA14 i1="03"><s1>Instituto de Fisica Fundamental, CSIC, C/ Serrano, 123</s1>
<s2>28006 Madrid</s2>
<s3>ESP</s3>
<sZ>3 aut.</sZ>
</fA14>
<fA15 i1="01"><s1>Università degli Studi di Perugia, Dipartimento di Chimica, via Elce dio Sotto, 8</s1>
<s2>06123 Perugia</s2>
<s3>ITA</s3>
<sZ>1 aut.</sZ>
</fA15>
<fA15 i1="02"><s1>Oxford University, Department of Chemistry, The Physical and Theoretical Chemistry Laboratory, South Parks Road</s1>
<s2>Oxford, OX1 3QZ</s2>
<s3>GBR</s3>
<sZ>2 aut.</sZ>
</fA15>
<fA15 i1="03"><s1>Université Bordeaux 1/CNRS UMR 5255, Institut des Sciences Moléculaires</s1>
<s2>33405 Talence</s2>
<s3>FRA</s3>
<sZ>3 aut.</sZ>
</fA15>
<fA15 i1="04"><s1>JILA/NIST, Department of Chemistry and Biochemistry, University of Colorado,</s1>
<s2>Boulder, CO, 80309</s2>
<s3>USA</s3>
<sZ>4 aut.</sZ>
</fA15>
<fA15 i1="05"><s1>University of Melbourne, School of Chemistry</s1>
<s3>AUS</s3>
<sZ>5 aut.</sZ>
</fA15>
<fA15 i1="06"><s1>University of Sydney, School of Chemistry</s1>
<s3>AUS</s3>
<sZ>6 aut.</sZ>
</fA15>
<fA20><s1>8186-8194</s1>
</fA20>
<fA21><s1>2011</s1>
</fA21>
<fA23 i1="01"><s0>ENG</s0>
</fA23>
<fA43 i1="01"><s1>INIST</s1>
<s2>26801</s2>
<s5>354000191573960130</s5>
</fA43>
<fA44><s0>0000</s0>
<s1>© 2011 INIST-CNRS. All rights reserved.</s1>
</fA44>
<fA45><s0>31 ref.</s0>
</fA45>
<fA47 i1="01" i2="1"><s0>11-0291000</s0>
</fA47>
<fA60><s1>P</s1>
<s3>PR</s3>
</fA60>
<fA61><s0>A</s0>
</fA61>
<fA64 i1="01" i2="1"><s0>PCCP. Physical chemistry chemical physics : (Print)</s0>
</fA64>
<fA66 i1="01"><s0>GBR</s0>
</fA66>
<fC01 i1="01" l="ENG"><s0>The role of the conical intersection between the <sup>1</sup>
Q<sub>1</sub>
 and <sup>3</sup>
Q<sub>0</sub>
 excited states in the photodissociation of CH<sub>3</sub>
I at 304 nm is investigated drawing a comparison between the adiabatic-through direct absorption to the <sup>3</sup>
Q<sub>1</sub>
 state-and non-adiabatic-via the <sup>1</sup>
Q<sub>1</sub>
 → <sup>3</sup>
Q<sub>0</sub>
 conical intersection-production of I atoms in the ground <sup>2</sup>
P<sub>3/2</sub>
 state. The versatility of the slice imaging technique in combination with resonance enhanced multiphoton ionization (REMPI) detection of I(<sup>2</sup>
P<sub>3/2</sub>
) atoms allow distinct measurements of the competing processes. The I(<sup>2</sup>
P<sub>3/2</sub>
) atom kinetic energy distributions (KEDs) obtained in both cases reflect inverted vibrational progressions of the v<sub>2</sub>
 umbrella mode of the CH<sub>3</sub>
 co-product. The experimental results show a satisfactory agreement with multisurface wave packet calculations using a reduced dimensionality (pseudotriatomic) model carried out on the available ab initio potential energy surfaces.</s0>
</fC01>
<fC02 i1="01" i2="X"><s0>001C01</s0>
</fC02>
<fC03 i1="01" i2="X" l="FRE"><s0>Formation image</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="ENG"><s0>Imaging</s0>
<s5>01</s5>
</fC03>
<fC03 i1="01" i2="X" l="SPA"><s0>Formación imagen</s0>
<s5>01</s5>
</fC03>
<fC03 i1="02" i2="X" l="FRE"><s0>Paquet onde</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="X" l="ENG"><s0>Wave packet</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="X" l="SPA"><s0>Paquete onda</s0>
<s5>02</s5>
</fC03>
<fC03 i1="03" i2="X" l="FRE"><s0>Photodissociation</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="ENG"><s0>Photodissociation</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="X" l="SPA"><s0>Fotodisociación</s0>
<s5>03</s5>
</fC03>
<fC03 i1="04" i2="X" l="FRE"><s0>Etat excité</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="ENG"><s0>Excited state</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="X" l="SPA"><s0>Estado excitado</s0>
<s5>04</s5>
</fC03>
<fC03 i1="05" i2="X" l="FRE"><s0>Etude comparative</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="ENG"><s0>Comparative study</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="SPA"><s0>Estudio comparativo</s0>
<s5>05</s5>
</fC03>
<fC03 i1="06" i2="X" l="FRE"><s0>Etat fondamental</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="ENG"><s0>Ground state</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="X" l="SPA"><s0>Estado fundamental</s0>
<s5>06</s5>
</fC03>
<fC03 i1="07" i2="X" l="FRE"><s0>Résonance</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="ENG"><s0>Resonance</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="X" l="SPA"><s0>Resonancia</s0>
<s5>07</s5>
</fC03>
<fC03 i1="08" i2="X" l="FRE"><s0>Ionisation multiphotonique</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="ENG"><s0>Multiphoton ionization</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="X" l="SPA"><s0>Ionización multifotónica</s0>
<s5>08</s5>
</fC03>
<fC03 i1="09" i2="X" l="FRE"><s0>Energie cinétique</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="X" l="ENG"><s0>Kinetic energy</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="X" l="SPA"><s0>Energía cinética</s0>
<s5>09</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE"><s0>Distribution énergie</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Energy distribution</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Distribución energía</s0>
<s5>10</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Calcul ab initio</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG"><s0>Ab initio calculations</s0>
<s5>11</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Modèle</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Models</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Modelo</s0>
<s5>12</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>Surface énergie potentielle</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG"><s0>Potential energy surfaces</s0>
<s5>13</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE"><s0>Photoionisation</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="X" l="ENG"><s0>Photoionization</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="X" l="SPA"><s0>Fotoionización</s0>
<s5>14</s5>
</fC03>
<fC03 i1="15" i2="X" l="FRE"><s0>Etude théorique</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="X" l="ENG"><s0>Theoretical study</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="X" l="SPA"><s0>Estudio teórico</s0>
<s5>15</s5>
</fC03>
<fC03 i1="16" i2="X" l="FRE"><s0>3380G</s0>
<s4>INC</s4>
<s5>32</s5>
</fC03>
<fC03 i1="17" i2="X" l="FRE"><s0>3115A</s0>
<s4>INC</s4>
<s5>33</s5>
</fC03>
<fN21><s1>192</s1>
</fN21>
<fN44 i1="01"><s1>OTO</s1>
</fN44>
<fN82><s1>OTO</s1>
</fN82>
</pA>
</standard>
</inist>
</record>

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A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

A slice imaging and multisurface wave packet study of the photodissociation of CH3I at 304 nm

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