Theoretical Study of the Extent of Intersystem Crossing in the O(3P) + C6H6 Reaction with Experimental Validation

Carlo Cavallotti; Carlo De Falco; Luna Pratali Maffei; Adriana Caracciolo; Gianmarco Vanuzzo; Nadia Balucani; Piergiorgio Casavecchia

doi:10.1021/acs.jpclett.0c02866

Theoretical Study of the Extent of Intersystem Crossing in the O(3P) + C6H6 Reaction with Experimental Validation

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.0c02866 ◽

2020 ◽

Vol 11 (22) ◽

pp. 9621-9628

Author(s):

Carlo Cavallotti ◽

Carlo De Falco ◽

Luna Pratali Maffei ◽

Adriana Caracciolo ◽

Gianmarco Vanuzzo ◽

...

Keyword(s):

Experimental Validation ◽

Theoretical Study ◽

Intersystem Crossing

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Packed U Cells Multilevel Converter Topology: Theoretical Study and Experimental Validation

IEEE Transactions on Industrial Electronics ◽

10.1109/tie.2010.2050412 ◽

2011 ◽

Vol 58 (4) ◽

pp. 1294-1306 ◽

Cited By ~ 219

Author(s):

Youssef Ounejjar ◽

Kamal Al-Haddad ◽

Luc-André Grégoire

Keyword(s):

Experimental Validation ◽

Theoretical Study ◽

Multilevel Converter ◽

Converter Topology

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Theoretical Study of the Effect of the Intermolecular Spin−Orbit Interaction in the Collision-Induced Intersystem Crossing of S1State Glyoxal by Ar

The Journal of Physical Chemistry A ◽

10.1021/jp012970u ◽

2001 ◽

Vol 105 (47) ◽

pp. 10657-10663 ◽

Cited By ~ 1

Author(s):

Tohru Nakajima ◽

Shigeki Kato

Keyword(s):

Theoretical Study ◽

Orbit Interaction ◽

Intersystem Crossing ◽

Spin Orbit ◽

Spin Orbit Interaction

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Spin-Blocking Effect in CO and H2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point

Inorganic Chemistry ◽

10.1021/acs.inorgchem.6b01187 ◽

2016 ◽

Vol 55 (16) ◽

pp. 8082-8090 ◽

Cited By ~ 4

Author(s):

K-jiro Watanabe ◽

Naoki Nakatani ◽

Akira Nakayama ◽

Masahiro Higashi ◽

Jun-ya Hasegawa

Keyword(s):

Reaction Mechanism ◽

Theoretical Study ◽

Minimum Energy ◽

Blocking Effect ◽

Intersystem Crossing ◽

Crossing Point

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Theoretical study on the influence of twist Angle on the rate of reverse intersystem crossing (RISC) in D-A molecule

10.22541/au.159594033.30161806 ◽

2020 ◽

Author(s):

Mei Zhao ◽

Yao Guo ◽

Chang Li ◽

Bing Yang ◽

Yuyu Pan

Keyword(s):

Theoretical Study ◽

Twist Angle ◽

Intersystem Crossing

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An Analytical Approach to Improve Vehicle Maneuverability via Torque Vectoring Control: Theoretical Study and Experimental Validation

IEEE Transactions on Vehicular Technology ◽

10.1109/tvt.2019.2903872 ◽

2019 ◽

Vol 68 (5) ◽

pp. 4514-4526 ◽

Cited By ~ 8

Author(s):

Lin Zhang ◽

Haitao Ding ◽

Yanjun Huang ◽

Hong Chen ◽

Konghui Guo ◽

...

Keyword(s):

Analytical Approach ◽

Experimental Validation ◽

Theoretical Study ◽

Torque Vectoring

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Theoretical study of spin-orbit coupling and intersystem crossing in the two-state reaction between Nb(NH2)3 and N2O

Science China Chemistry ◽

10.1007/s11426-011-4468-7 ◽

2012 ◽

Vol 55 (1) ◽

pp. 158-166 ◽

Cited By ~ 2

Author(s):

LingLing Lv ◽

XiaoFang Wang ◽

YuanCheng Zhu ◽

XinWen Liu ◽

YongCheng Wang

Keyword(s):

Theoretical Study ◽

Orbit Coupling ◽

Intersystem Crossing ◽

Spin Orbit Coupling ◽

Spin Orbit

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Optimization of x-ray spectra for bone mineral density and body composition measurements: theoretical study and experimental validation

10.1117/12.451534 ◽

2002 ◽

Cited By ~ 3

Author(s):

Lionel Herve ◽

Christine Robert-Coutant ◽

Jean-Marc Dinten ◽

Loick Verger ◽

Vincent Comparat

Keyword(s):

Bone Mineral Density ◽

Body Composition ◽

Bone Mineral ◽

Experimental Validation ◽

Theoretical Study ◽

Mineral Density ◽

X Ray ◽

Composition Measurements

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A Theoretical Study on the Photodissociation of Acetone: Insight into the Slow Intersystem Crossing and Exploration of Nonadiabatic Pathways to the Ground State

The Journal of Physical Chemistry Letters ◽

10.1021/jz100551y ◽

2010 ◽

Vol 1 (12) ◽

pp. 1841-1845 ◽

Cited By ~ 48

Author(s):

Satoshi Maeda ◽

Koichi Ohno ◽

Keiji Morokuma

Keyword(s):

Ground State ◽

Theoretical Study ◽

Intersystem Crossing ◽

Insight Into

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Intersystem-crossing and phosphorescence rates in fac-IrIII(ppy)3: A theoretical study involving multi-reference configuration interaction wavefunctions

The Journal of Chemical Physics ◽

10.1063/1.4913513 ◽

2015 ◽

Vol 142 (9) ◽

pp. 094301 ◽

Cited By ~ 46

Author(s):

Martin Kleinschmidt ◽

Christoph van Wüllen ◽

Christel M. Marian

Keyword(s):

Configuration Interaction ◽

Theoretical Study ◽

Reference Configuration ◽

Intersystem Crossing

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Theoretical study and experimental validation on the optical emission processes in “free” and “locked” pyrazine derivatives

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.117296 ◽

2019 ◽

Vol 223 ◽

pp. 117296 ◽

Cited By ~ 1

Author(s):

Tian Zhang ◽

Fanze Meng ◽

Lili Lin ◽

Juanjuan Luo ◽

Haozhong Wu ◽

...

Keyword(s):

Experimental Validation ◽

Theoretical Study ◽

Optical Emission

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