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Reinholdt, Peter
241  Ergebnisse:
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1

The variational quantum eigensolver self-consistent field m..:

Kjellgren, Erik Rosendahl ; Reinholdt, Peter ; Fitzpatrick, Aaron...
The Journal of Chemical Physics.  160 (2024)  12 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Which Options Exist for NISQ-Friendly Linear Response Formu..:

Ziems, Karl Michael ; Kjellgren, Erik Rosendahl ; Reinholdt, Peter...
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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3

Ratiometric fluorescence nanoscopy and lifetime imaging of ..:

Lauritsen, Line ; Szomek, Maria ; Hornum, Mick...
Scientific Reports.  14 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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4

Subspace Methods for the Simulation of Molecular Response P..:

Reinholdt, Peter ; Kjellgren, Erik Rosendahl ; Fuglsbjerg, Juliane Holst...
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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5

Quantum Equation of Motion with Orbital Optimization for Co..:

Jensen, Phillip W. K. ; Kjellgren, Erik Rosendahl ; Reinholdt, Peter...
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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6

Quantum Mechanical Versus Polarizable Embedding Schemes: A ..:

Folkestad, Sarai Dery ; Paul, Alexander C. ; Paul née Matveeva, Regina...
Journal of Chemical Theory and Computation.  20 (2024)  10 - p. 4161-4169 , 2024
Link: https://doi.org/10.1021/..
 
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7

Understanding the Red Shift in the Absorption Spectrum of t..:

Kretschmer, Katarina ; Frederiksen, Anders ; Reinholdt, Peter..
The Journal of Physical Chemistry B.  128 (2024)  22 - p. 5320-5326 , 2024
Link: https://doi.org/10.1021/..
 
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8

Importance of Polarizable Embedding for Absorption Spectrum..:

Frederiksen, Anders ; Gerhards, Luca ; Reinholdt, Peter..
The Journal of Physical Chemistry B.  128 (2024)  26 - p. 6283-6290 , 2024
Link: https://doi.org/10.1021/..
 
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9

Color Tuning in Bovine Rhodopsin through Polarizable Embedd..:

Di Prima, Duccio ; Reinholdt, Peter ; Kongsted, Jacob
The Journal of Physical Chemistry B.  128 (2024)  12 - p. 2864-2873 , 2024
Link: https://doi.org/10.1021/..
 
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10

Accuracy of One- and Two-Photon Intensities with the Extend..:

Larsson, Ernst Dennis ; Reinholdt, Peter ; Hedegård, Erik Donovan.
The Journal of Physical Chemistry B.  127 (2023)  46 - p. 9905-9914 , 2023
Link: https://doi.org/10.1021/..
 
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11

The Importance of Solvent Effects in Calculations of NMR Co..:

Jessen, Louise Møller ; Reinholdt, Peter ; Kongsted, Jacob.
Magnetochemistry.  9 (2023)  4 - p. 102 , 2023
Link: https://doi.org/10.3390/..
 
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12

Analytic geometric gradients for the polarizable density em..:

Reinholdt, Peter ; Van den Heuvel, Willem ; Kongsted, Jacob
International Journal of Quantum Chemistry.  123 (2023)  18 - p. , 2023
Link: https://doi.org/10.1002/..
 
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13

Facile Suzuki Coupling Strategy toward New Nile Red Derivat..:

Mulberg, Mads W. ; Hornum, Mick ; Reinholdt, Peter...
European Journal of Organic Chemistry.  26 (2023)  21 - p. , 2023
Link: https://doi.org/10.1002/..
 
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14

Theoretical and Numerical Comparison of Quantum- and Classi..:

Jansen, Marina ; Reinholdt, Peter ; Hedegård, Erik D..
The Journal of Physical Chemistry A.  127 (2023)  27 - p. 5689-5703 , 2023
Link: https://doi.org/10.1021/..
 
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15

Natamycin interferes with ergosterol-dependent lipid phases..:

Akkerman, Vibeke ; Scheidt, Holger A. ; Reinholdt, Peter...
BBA Advances.  4 (2023)  - p. 100102 , 2023
Link: https://doi.org/10.1016/..
 
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