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1

Ultrafast Excited-State Deactivation of the Bacterial Pigment Violacein

by Beckstead, Ashley A., Zhang, Yuyan, Hilmer, Jonathan K., Smith, Heidi J., Bermel, Emily, Foreman, Christine M., Kohler, Bern
Published in The Journal of Physical Chemistry A (2017)
“... measurements reveal excited-state lifetimes of 3.2 +/- 0.2 and 4.6 +/- 0.2 ps in methanol and acetone...”

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2

Understanding Chemical Selectivity Through Well Selected Excited States

by Guégan, Frédéric, Pigeon, Thomas, Proft, Frank de, Tognetti, Vincent, Joubert, Laurent, Chermette, Henry, Ayers, Paul W., Luneau, Dominique, Morell, Christophe
Published 2019

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3

Understanding Chemical Selectivity Through Well Selected Excited States

by Guégan, Frédéric, Pigeon, Thomas, Proft, Frank de, Tognetti, Vincent, Joubert, Laurent, Chermette, Henry, Ayers, Paul W., Luneau, Dominique, Morell, Christophe
Published 2019

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4

Photoinduced electron and energy dynamics in architecturally designed molecular assemblies containing C60-fullerene

by Wang, Li, 1970-
Published 2009
Subjects: “...Excited state chemistry...”

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Thesis
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5

Variational calculations of excited states via direct optimization of the orbitals in DFT

by Levi, Gianluca, Ivanov, Aleksei, Jónsson, Hannes
Published in Faraday Discussions (2020)
“... overlap method. Results of benchmark calculations of 52 excited states of molecules indicate...”

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6

Ruthenium (II) complexes with terpyridine derivatives: what is the lifetime of the excited state dependent on?

by Duati, Marco
Published 2001
“... revealed important information about the location of the excited state. Chapter five explores...”

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Thesis
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7

Structure, CO-releasing property, electrochemistry, DFT calculation, and antioxidant activity of benzimidazole derivative substituted [Mn(CO)(3)(bpy)L]PF6 type novel manganese comp...

by Ustun, Elvan, Ayvaz, Melek Col, Celebi, Mutlu Sonmez, Asci, Gizem, Demir, Serpil, Ozdemir, Ismail
Published 2016
Subjects: “...excıted-state...”

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Article in Journal/Newspaper
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8

Research Data for "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations"

by Plasser, Felix
Published 2019
“... of Electronic Excited State Computations" Content ZMSO2M - input/output files of Turbomole and TheoDORE...”

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9

Research Data for "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations"

by Plasser, Felix
Published 2019
“... of Electronic Excited State Computations" Content ZMSO2M - input/output files of Turbomole and TheoDORE...”

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10

Research Data for "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations"

by Felix Plasser
Published 2019
“... of Electronic Excited State Computations" Content ZMSO2M - input/output files of Turbomole and TheoDORE...”

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11

Research Data for "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations" ...

by Plasser, Felix
Published 2019
“... of Electronic Excited State Computations" Content ZMSO2M - input/output files of Turbomole and TheoDORE...”

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12

Picosecond time resolved spectroscopy used as a tool to probe excited state photophysics of biologically and environmentally relevant systems

by Chowdhury, Pramit Kumar
Published 2004
“... techniques to probe the excited state photophysics of a range of biologically and environmentally relevant...”

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Text
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13

Excited-state dynamics of biological molecules in solution: photoinduced charge transfer...

by Beckstead, Ashley Ann
Published 2017
“...UV radiation from the sun is strongly absorbed by DNA, and the resulting electronic excited states...”

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Doctoral or Postdoctoral Thesis
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14

52.3: Invited Paper: Prediction of Excited State Lifetimes and Properties for OLED Materials Using Quantum Theory: The ORCA Software.

by De Souza, Bernardo, Riplinger, Christoph, Berraud-Pache, Romain
Published in SID Symposium Digest of Technical Papers (2021)

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15

25‐2: Invited Paper: Predicting Excited State Lifetimes from Scratch Using Quantum Theory: Results from the ORCA Software

by de Souza, Bernardo, Riplinger, Christoph, Berraud-Pache, Romain
Published in SID Symposium Digest of Technical Papers (2021)

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Article in Journal/Newspaper
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16

Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package

by Huntington, Lee Michael
Published 2016
Subjects: “...Excited States...”

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Doctoral or Postdoctoral Thesis
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17

Harris-Nesbet method for electron-Li²⁺ collisions : determination of the singlet S-wave doubly excited states of Li⁺ below the N=2 threshold of Li²⁺

by Nguyen, Kiet A., 1981-
Published 2008

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Text
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18

Theoretical Studies of Photoactive Metal Complexes with Applications in C-H Functionalization and Quantum Computing

by Alamo Velazquez, Domllermut C.
Published 2023
Subjects: “...excited states...”

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Thesis
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19

Internally Contracted Multireference Coupled-Cluster Theories With Automated Code Generation

by Lechner, Marvin Harald
Published in Molecular Physics (2023)
Subjects: “...Excited States...”

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Doctoral or Postdoctoral Thesis
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20

Desenvolvimento e aplicação do pacote computacional LUMPAC

by DUTRA, José Diogo de Lisboa
Published 2017
Subjects: “...Excited States...”

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Doctoral or Postdoctoral Thesis