(Q60715269)

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The photophysics of pyranthione: a theoretical investigation focussing on spin-forbidden transitions

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The photophysics of pyranthione: a theoretical investigation focussing on spin-forbidden transitions (English)

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Jörg Tatchen

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Mirko Waletzke

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2

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Christel M. Marian

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3

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Stefan Grimme

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4

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publication date

March 2001

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published in

Chemical Physics

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volume

264

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issue

3

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page(s)

245-254

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cites work

A mean-field spin-orbit method applicable to correlated wavefunctions

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Spin−Orbit Coupling Patterns Induced by Twist and Pyramidalization Modes in C2H4: A Quantitative Study and a Qualitative Analysis

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On the performance of approximate spin–orbit Hamiltonians in light conjugated molecules: the fine-structure splitting of HC 6 H + , NC 5 H + , and NC 4 N +

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A new mixing of Hartree–Fock and local density‐functional theories

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Electronic structure calculations on workstation computers: The program system turbomole

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RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

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7 January 2021

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10.1016/S0301-0104(01)00243-9

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(Q60715269)

The photophysics of pyranthione: a theoretical investigation focussing on spin-forbidden transitions

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