Triplet Species from Norbornadiene. Time-Resolved Photoacoustic Calorimetry and ab Initio Studies of Energy, Geometry, and Spin-Orbit Coupling

Anna M. Helms; Richard. A. Caldwell

doi:10.1021/ja00106a039

Triplet Species from Norbornadiene. Time-Resolved Photoacoustic Calorimetry and ab Initio Studies of Energy, Geometry, and Spin-Orbit Coupling

Journal of the American Chemical Society ◽

10.1021/ja00106a039 ◽

1995 ◽

Vol 117 (1) ◽

pp. 358-361 ◽

Cited By ~ 22

Author(s):

Anna M. Helms ◽

Richard. A. Caldwell

Keyword(s):

Ab Initio ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Time Resolved ◽

Photoacoustic Calorimetry

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Ab initio study including spin–orbit coupling of the electronic band structure and magnetic properties of h-HoMnO3

Indian Journal of Physics ◽

10.1007/s12648-021-02129-7 ◽

2021 ◽

Author(s):

A. Chadli ◽

B. Lagoun ◽

L. Aissani ◽

Y. Berhail ◽

G. Manca ◽

...

Keyword(s):

Magnetic Properties ◽

Band Structure ◽

Ab Initio ◽

Electronic Band Structure ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Ab Initio Study ◽

Electronic Band

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Ab initio calculations in atoms, molecules, and solids, treating spin–orbit coupling and electron interaction on an equal footing

The Journal of Chemical Physics ◽

10.1063/5.0075900 ◽

2022 ◽

Vol 156 (1) ◽

pp. 014107

Author(s):

Brandon Eskridge ◽

Henry Krakauer ◽

Hao Shi ◽

Shiwei Zhang

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Orbit Coupling ◽

Electron Interaction ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Equal Footing

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Extensive Ab initio Study on the Low-lying Excited States of SiBr+ Including Spin-Orbit Coupling

Communications in Computational Chemistry ◽

10.4208/cicc.2013.v1.n4.6 ◽

2013 ◽

Vol 1 (4) ◽

pp. 351-361 ◽

Cited By ~ 1

Author(s):

Hong-Sheng Zhai

Keyword(s):

Ab Initio ◽

Excited States ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Ab Initio Study

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The Jahn-Teller effect and spin-orbit coupling in alkali trimers: Spectroscopic experiments and ab initio calculations

10.1063/1.4771745 ◽

2012 ◽

Author(s):

Andreas Hauser ◽

Carlo Callegari ◽

Wolfgang E. Ernst

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Orbit Coupling ◽

Teller Effect ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Jahn Teller ◽

Jahn Teller Effect

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Extensive ab initio calculation on low-lying excited states of SiN+ cation including spin-orbit coupling

The European Physical Journal D ◽

10.1140/epjd/e2015-50584-y ◽

2015 ◽

Vol 69 (3) ◽

Cited By ~ 1

Author(s):

YuFang Liu ◽

Hongsheng Zhai ◽

Yanlei Liu

Keyword(s):

Ab Initio ◽

Excited States ◽

Ab Initio Calculation ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Flexible nuclear screening approximation to the two-electron spin–orbit coupling based on ab initio parameterization

The Journal of Chemical Physics ◽

10.1063/1.4832737 ◽

2013 ◽

Vol 139 (20) ◽

pp. 204106 ◽

Cited By ~ 6

Author(s):

Jakub Chalupský ◽

Takeshi Yanai

Keyword(s):

Ab Initio ◽

Electron Spin ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit

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Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities

Coordination Chemistry Reviews ◽

10.1016/j.ccr.2006.05.019 ◽

2007 ◽

Vol 251 (3-4) ◽

pp. 288-327 ◽

Cited By ~ 232

Author(s):

Frank Neese ◽

Taras Petrenko ◽

Dmitry Ganyushin ◽

Gottfried Olbrich

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Ab Initio ◽

Optical Spectroscopy ◽

Transition Metal Complexes ◽

Resonance Raman ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Raman Intensities

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Ab initio spin–orbit coupling SCF calculation of parity-violating energy of chiral molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(02)00255-5 ◽

2002 ◽

Vol 589-590 ◽

pp. 183-193 ◽

Cited By ~ 13

Author(s):

Takeshi Kitayama ◽

Hiroshi Kiyonaga ◽

Kenji Morihashi ◽

Ohgi Takahashi ◽

Osamu Kikuchi

Keyword(s):

Ab Initio ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Chiral Molecules

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AN AB INITIO STUDY OF SbH2 AND BiH2: THE RENNER EFFECT, SPIN-ORBIT COUPLING, LOCAL MODE VIBRATIONS AND ROVIBRONIC ENERGY LEVEL CLUSTERING IN SbH2

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.wj13 ◽

2016 ◽

Author(s):

Per Jensen ◽

Phil Bunker ◽

Peter Schwerdtfeger ◽

Bojana Ostojic

Keyword(s):

Energy Level ◽

Ab Initio ◽

Orbit Coupling ◽

Local Mode ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Ab Initio Study

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Ab-initio study of the electronic structure of LuO including spin-orbit coupling effects

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2020.112941 ◽

2020 ◽

Vol 1187 ◽

pp. 112941

Author(s):

Joumana Assaf ◽

Rouba Reaidi ◽

Rima Assaf

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Ab Initio Study ◽

Coupling Effects

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