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1 . Academic Journal
Molecular dynamics simulation of apolipoprotein E3 lipid nanodiscs
저자
by
Allen, Patrick
;
Smith, Adam C.
;
Benedicto, Vernon
;
Abdulhasan, Abbas
;
Narayanaswami, Vasanthy
, et al.
소스
In
BBA - Biomembranes
January 2024 1866(1)
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7 . Report
Molecular Dynamics Simulation of Apolipoprotein E3 Lipid Nanodiscs
저자
by
Allen, Patrick
;
Smith, Adam C.
;
Benedicto, Vernon
;
Abdulhassan, Abbas
;
Narayanaswami, Vasanthy
, et al.
소스
Open Access (Arxiv)
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7 . Report
Ab initio simulation of the ultrafast circular dichroism spectrum of provitamin D ring-opening
저자
by
Tapavicza, Enrico
;
Reutershan, Trevor
;
Thompson, Travis
.
소스
Open Access (Arxiv)
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5 . Academic Journal
Synthesis and Properties of Azahomocorannulenyl Cations and Radicals.
저자
by
Hamamoto, Yosuke
;
Ochiai, Kotaro
;
Li, Yongxin
;
Tapavicza, Enrico
;
Ito, Shingo
.
소스
Angewandte Chemie
. 2/12/2024, Vol. 136 Issue 7, p1-6. 6p.
Full Text (Wiley)
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7 . Report
Conformationally controlled photochemistry studied by trajectory surface hopping
저자
by
Tapavicza, Enrico
.
소스
Open Access (Arxiv)
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3 . Report
Applicability of the thawed Gaussian wavepacket dynamics to the calculation of vibronic spectra of molecules with double-well potential energy surfaces
저자
by
Begušić, Tomislav
;
Tapavicza, Enrico
;
Vaníček, Jiří
.
소스
J. Chem. Theory Comput. 18, 3065 (2022)
Open Access (Arxiv)
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5 . Report
Elucidating atmospheric brown carbon -- Supplanting chemical intuition with exhaustive enumeration and machine learning
저자
by
Tapavicza, Enrico
;
von Rudorff, Guido Falk
;
De Haan, David O.
;
Contin, Mario
;
George, Christian
, et al.
소스
Open Access (Arxiv)
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7 . Academic Journal
First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the solvent.
저자
by
de Queiroz, Thiago B.
;
de Figueroa, Erick R.
;
Coutinho-Neto, Maurício D.
;
Maciel, Cleiton D.
;
Tapavicza, Enrico
, et al.
소스
Journal of Chemical Physics
. 1/28/2021, Vol. 154 Issue 4, p1-9. 9p.
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7 . Academic Journal
Energetically unfavorable protein angles: Exploration of a conserved dihedral angle in triosephosphate isomerase.
저자
by
Allen, Patrick W.
;
Cook, Jordan A.
;
Colquhoun, Anh N.
;
Sorin, Eric J.
;
Tapavicza, Enrico
, et al.
소스
Biopolymers; Nov2022, Vol. 113 Issue 11, p1-7, 7p
Web of Science
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7 . Report
The role of tachysterol in vitamin D photosynthesis - A non-adiabatic molecular dynamics study
저자
by
Cisneros, Cecilia
;
Thompson, Travis
;
Baluyot, Noel
;
Smith, Adam
;
Tapavicza, Enrico
.
소스
Physical Chemistry Chemical Physics 19 (8), 5763-5777 (2017)
Open Access (Arxiv)
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