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11 . Report
Ground-to-excited derivative couplings for the density functional based tight-binding method: Semi-local and long-range corrected formulations
저자
by
Niehaus, Thomas A.
.
소스
Open Access (Arxiv)
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13 . Academic Journal
Full thermoelectric characterization of a single molecule
저자
by
Andrea Gemma
;
Fatemeh Tabatabaei
;
Ute Drechsler
;
Anel Zulji
;
Hervé Dekkiche
, et al.
소스
Nature Communications, Vol 14, Iss 1, Pp 1-6 (2023)
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17 . Report
Liquid-solid slip on charged walls: dramatic impact of charge distribution
저자
by
Xie, Yanbo
;
Fu, Li
;
Niehaus, Thomas
;
Joly, Laurent
.
소스
Phys. Rev. Lett. 125, 014501 (2020)
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16 . Reference
Niehaus
, Lennie
저자
by
Owens, Thomas, author
;
Kernfeld, Barry, reviser
.
소스
Oxford Music Online, 2002
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14 . Report
Towards a simplified description of thermoelectric materials: Accuracy of approximate density functional theory for phonon dispersions
저자
by
Niehaus, Thomas A.
;
Melissen, Sigismund T. A. G.
;
Aradi, Balint
;
Allaei, S. Mehdi Vaez
.
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16 . Report
An All-DFTB Approach to the Parametrization of the System-Bath Hamiltonian Describing Exciton-Vibrational Dynamics of Molecular Assemblies
저자
by
Plötz, Per-Arno
;
Megow, Jörg
;
Niehaus, Thomas
;
Kühn, Oliver
.
소스
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16 . Academic Journal
Chemical-damage MINE: A database of curated and predicted spontaneous metabolic reactions
저자
by
Jeffryes, James G.
;
Lerma-Ortiz, Claudia
;
Liu, Filipe
;
Golubev, Alexey
;
Niehaus, Thomas D.
, et al.
소스
In
Metabolic Engineering
January 2022 69:302-312
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17 . Report
Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding
저자
by
Rüger, Robert
;
Niehaus, Thomas
;
van Lenthe, Erik
;
Heine, Thomas
;
Visscher, Lucas
.
소스
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17 .
«L’isola dimenticata». La Sardegna nell’opera di Alfred Steinitzer, Max
Niehaus
e
Thomas
Münster
저자
by
Serra, Valentina
.
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13 . Report
Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method
저자
by
Lutsker, Vitalij
;
Aradi, Balint
;
Niehaus, Thomas A.
.
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