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de Wergifosse, Marc
45  Ergebnisse:
Personensuche X
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1

The eXact integral simplified time-dependent density functi..:

de Wergifosse, Marc ; Grimme, Stefan
The Journal of Chemical Physics.  160 (2024)  20 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Simplified quantum chemistry methods to evaluate non‐linear..:

Löffelsender, Sarah ; Beaujean, Pierre ; de Wergifosse, Marc
WIREs Computational Molecular Science.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1002/..
 
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3

Ultrafast Evaluation of Two-Photon Absorption with Simplifi..:

de Wergifosse, Marc ; Beaujean, Pierre ; Grimme, Stefan
The Journal of Physical Chemistry A.  126 (2022)  41 - p. 7534-7547 , 2022
Link: https://doi.org/10.1021/..
 
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4

Self-assembling, structure and nonlinear optical properties..:

Lescos, Laurie ; Beaujean, Pierre ; Tonnelé, Claire...
Physical Chemistry Chemical Physics.  23 (2021)  41 - p. 23643-23654 , 2021
Link: https://doi.org/10.1039/..
 
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5

Perspective on Simplified Quantum Chemistry Methods for Exc..:

de Wergifosse, Marc ; Grimme, Stefan
The Journal of Physical Chemistry A.  125 (2021)  18 - p. 3841-3851 , 2021
Link: https://doi.org/10.1021/..
 
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6

All-Atom Quantum Mechanical Calculation of the Second-Harmo..:

Beaujean, Pierre ; Champagne, Benoît ; Grimme, Stefan.
The Journal of Physical Chemistry Letters.  12 (2021)  39 - p. 9684-9690 , 2021
Link: https://doi.org/10.1021/..
 
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7

Simplified time-dependent density functional theory (sTD-DF..:

de Wergifosse, Marc ; Seibert, Jakob ; Grimme, Stefan
The Journal of Chemical Physics.  153 (2020)  8 - p. , 2020
Link: https://doi.org/10.1063/..
 
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8

Dynamic Structural Effects on the Second-Harmonic Generatio..:

Seibert, Jakob ; Champagne, Benoît ; Grimme, Stefan.
The Journal of Physical Chemistry B.  124 (2020)  13 - p. 2568-2578 , 2020
Link: https://doi.org/10.1021/..
 
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9

A Unified Strategy for the Chemically Intuitive Interpretat..:

de Wergifosse, Marc ; Grimme, Stefan
Journal of Chemical Theory and Computation.  16 (2020)  12 - p. 7709-7720 , 2020
Link: https://doi.org/10.1021/..
 
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10

A Simplified Spin-Flip Time-Dependent Density Functional Th..:

de Wergifosse, Marc ; Bannwarth, Christoph ; Grimme, Stefan
The Journal of Physical Chemistry A.  123 (2019)  27 - p. 5815-5825 , 2019
Link: https://doi.org/10.1021/..
 
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11

Nonlinear-response properties in a simplified time-dependen..:

de Wergifosse, Marc ; Grimme, Stefan
The Journal of Chemical Physics.  150 (2019)  9 - p. , 2019
Link: https://doi.org/10.1063/..
 
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12

Are Fully Conjugated Expanded Indenofluorenes Analogues and..:

de Wergifosse, Marc ; Seibert, Jakob ; Champagne, Benoît.
The Journal of Physical Chemistry A.  123 (2019)  45 - p. 9828-9839 , 2019
Link: https://doi.org/10.1021/..
 
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13

ONIOM Investigation of the Second-Order Nonlinear Optical R..:

de Wergifosse, Marc ; Botek, Edith ; De Meulenaere, Evelien..
The Journal of Physical Chemistry B.  122 (2018)  19 - p. 4993-5005 , 2018
Link: https://doi.org/10.1021/..
 
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14

Theoretical Study on Third-Order Nonlinear Optical Property..:

Matsui, Hiroshi ; Yamane, Masaki ; Tonami, Takayoshi...
The Journal of Physical Chemistry C.  122 (2018)  12 - p. 6779-6785 , 2018
Link: https://doi.org/10.1021/..
 
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15

Nonlinear-response properties in a simplified time-dependen..:

de Wergifosse, Marc ; Grimme, Stefan
The Journal of Chemical Physics.  149 (2018)  2 - p. , 2018
Link: https://doi.org/10.1063/..
 
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