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PubPharm (130)
1
Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil
enthalten in:
The journal of physical chemistry. A
| 2024
von
Navarrete-Miguel, M.
|
Giussani, A.
|
Rubio, M.
| +3
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2
Reference Energies for Double Excitations: Improvement and Extension
enthalten in:
arXiv.org
| 2024
von
Kossoski, F.
|
Boggio-Pasqua, M.
|
Loos, P.
| +1
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3
Reference Vertical Excitation Energies for Transition Metal Compounds
enthalten in:
Journal of chemical theory and computation
| 2023
von
Jacquemin, D.
|
Kossoski, F.
|
Gam, F.
| +2
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4
Reference Vertical Excitation Energies for Transition Metal Compounds
enthalten in:
arXiv.org
| 2023
von
Jacquemin, D.
|
Kossoski, F.
|
Gam, F.
| +2
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5
Dihydropyrene/Cyclophanediene Photoswitching Mechanism Revisited with Spin-Flip Time-Dependent Density Functional Theory : Nature of the Photoisomerization Funnel at Stake!
enthalten in:
The journal of physical chemistry. A
| 2023
von
Lognon, E.
|
Sarkar, R.
|
Heitz, M.
| +1
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6
All Visible Light Photoswitch Based on the Dimethyldihydropyrene Unit Operating in Aqueous Solutions with High Quantum Yields
enthalten in:
JACS Au
| 2023
von
Ziani, Z.
|
Cobo, S.
|
Loiseau, F.
| +4
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7
Absorption band structure of the photochromic dimethyldihydropyrene/metacyclophanediene couple. Insight from vibronic coupling theory
enthalten in:
The Journal of chemical physics
| 2022
von
Sarkar, R.
|
Heitz, M.
|
Boggio-Pasqua, M.
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8
Reference Energies for Cyclobutadiene : Automerization and Excited States
enthalten in:
The journal of physical chemistry. A
| 2022
von
Monino, E.
|
Boggio-Pasqua, M.
|
Scemama, A.
| +2
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9
Benchmarking CASPT3 vertical excitation energies
enthalten in:
The Journal of chemical physics
| 2022
von
Boggio-Pasqua, M.
|
Jacquemin, D.
|
Loos, P.
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10
New Insights into the Redox Properties of Pyridinium Appended 1,2-Dithienylcyclopentenes
enthalten in:
Chemphyschem : a European journal of chemical physics and physical chemistry
| 2022
von
Sicard, L.
|
Lafolet, F.
|
Boggio-Pasqua, M.
| +3
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9
Ruthenium
8
photochromism
7
7UI0TKC3U5
7
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6
Heisenberg Hamiltonian
6
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4
Bacterial Proteins
4
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4
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4
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4
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4
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4
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4
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4
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