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X
Vogiatzis, Konstantinos D.
239  Ergebnisse:
Personensuche X
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1

Multiscale Modeling of Vinyl-Addition Polynorbornenes: The ..:

Shahidi, Nobahar ; Laub, Jeffrey A. ; Vogiatzis, Konstantinos D..
Polymers.  16 (2024)  16 - p. 2243 , 2024
Link: https://doi.org/10.3390/..
 
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2

Disparate reactivity of a chiral iron(ii) tetracarbene comp..:

Russell, Jerred J. ; DeJesus, Joseph F. ; Smith, Brett A....
Dalton Transactions.  , 2024
Link: https://doi.org/10.1039/..
 
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3

Electronic Structure and Ligand Effects on the Activation a..:

White, Maria V. ; Claveau, Emily E. ; Miliordos, Evangelos.
The Journal of Physical Chemistry A.  128 (2024)  11 - p. 2038-2048 , 2024
Link: https://doi.org/10.1021/..
 
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4

Ligand Engineering of Tetra N-Heterocyclic Carbenes for Boo..:

Smith, Brett A. ; Hakimov, Somon ; Jenkins, David M.
Dalton Transactions.  , 2024
Link: https://doi.org/10.1039/..
 
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5

Computational Fluid Dynamics-Based Systems Engineering for ..:

Vogiatzis, Konstantinos ; Angeli, George ; Trancho, Gelys.
Computation.  12 (2024)  7 - p. 143 , 2024
Link: https://doi.org/10.3390/..
 
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6

Constructing Crown Ether‐Based Supramolecular Adhesives wit..:

Ju, Hao ; Yin, Zhaoliang ; Demchuk, Zoriana...
Advanced Functional Materials.  , 2024
Link: https://doi.org/10.1002/..
 
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7

Exploration of the Two-Electron Excitation Space with Data-..:

Pathirage, P. D. Varuna S. ; Phillips, Justin T. ; Vogiatzis, Konstantinos D.
The Journal of Physical Chemistry A.  128 (2024)  10 - p. 1938-1947 , 2024
Link: https://doi.org/10.1021/..
 
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8

Theoretical Investigation of Actinide Ligation in Aqueous a..:

Laub, Jeffrey A. ; Vogiatzis, Konstantinos D.
The Journal of Physical Chemistry A.  127 (2023)  26 - p. 5523-5533 , 2023
Link: https://doi.org/10.1021/..
 
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9

Contributors:

, In: Quantum Chemistry in the Age of Machine Learning,
Afzal, Mohammad Atif Faiz ; Barbatti, Mario ; Battaglia, Stefano... - p. xi-xiv , 2023
Link: https://doi.org/10.1016/..
 
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10

Accurate Interaction Energies of CO2 with the 20 Naturally ..:

Sylvanus, Amarachi G. ; Vogiatzis, Konstantinos D.
ChemPhysChem.  24 (2023)  13 - p. , 2023
Link: https://doi.org/10.1002/..
 
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11

Data-driven acceleration of coupled-cluster and perturbatio..:

, In: Quantum Chemistry in the Age of Machine Learning,
Jones, Grier M. ; S. Pathirage, P.D.Varuna ; Vogiatzis, Konstantinos D. - p. 509-529 , 2023
Link: https://doi.org/10.1016/..
 
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12

Data-Driven Refinement of Electronic Energies from Two-Elec..:

Jones, Grier M. ; Li, Run R. ; DePrince III, A. Eugene.
The Journal of Physical Chemistry Letters.  14 (2023)  28 - p. 6377-6385 , 2023
Link: https://doi.org/10.1021/..
 
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13

Synthesis and Characterization of Chelating Alkyl-borohydri..:

Lastowski, R. Joseph ; Caroff, Christopher M. ; Vogiatzis, Konstantinos D..
Organometallics.  42 (2023)  19 - p. 2839-2848 , 2023
Link: https://doi.org/10.1021/..
 
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14

Data-driven ligand field exploration of Fe(iv)–oxo sites fo..:

Jones, Grier M. ; Smith, Brett A. ; Kirkland, Justin K..
Inorganic Chemistry Frontiers.  10 (2023)  4 - p. 1062-1075 , 2023
Link: https://doi.org/10.1039/..
 
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15

Three-Center M–H–B Bonds Are Strong Field Interactions. Syn..:

Lastowski, R. Joseph ; Yarranton, Jonathan T. ; Zhu, Lingyang..
Journal of the American Chemical Society.  145 (2023)  43 - p. 23585-23599 , 2023
Link: https://doi.org/10.1021/..
 
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