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21 . Academic Journal
The photodynamics of 2,4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of amino-substitution
저자
by
Nachtigallová, Dana
;
Barbatti, Mario
;
Szymczak, Jaroslaw J.
;
Hobza, Pavel
;
Lischka, Hans
.
소스
In
Chemical Physics Letters
10 September 2010 497(1-3):129-134
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27 . Academic Journal
Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy
저자
by
Barbatti, Mario
;
Pittner, Jiří
;
Pederzoli, Marek
;
Werner, Ute
;
Mitrić, Roland
, et al.
소스
In
Chemical Physics
2010 375(1):26-34
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27 . Academic Journal
On the short and long phosphorescence lifetimes of aromatic carbonyls.
저자
by
Mukherjee, Saikat
;
Kar, Moumita
;
Bhati, Mansi
;
Gao, Xing
;
Barbatti, Mario
.
소스
Theoretical Chemistry Accounts: Theory, Computation, & Modeling
. Sep2023, Vol. 142 Issue 9, p1-16. 16p.
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27 . Academic Journal
Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.
저자
by
C. A. Valente, Daniel
;
do Casal, Mariana T.
;
Barbatti, Mario
;
Niehaus, Thomas A.
;
Aquino, Adelia J. A.
, et al.
소스
Journal of Chemical Physics
. 1/28/2021, Vol. 154 Issue 4, p1-13. 13p.
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27 . Academic Journal
Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplings
저자
by
Pittner, Jiri
;
Lischka, Hans
;
Barbatti, Mario
.
소스
In
Chemical Physics
17 February 2009 356(1-3):147-152
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25 . Academic Journal
The effect of protonation on the photodissociation processes in formamide – An ab initio surface hopping dynamics study
저자
by
Antol, Ivana
;
Vazdar, Mario
;
Barbatti, Mario
;
Eckert-Maksić, Mirjana
.
소스
In
Chemical Physics
2008 349(1):308-318
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26 . Academic Journal
Theoretical investigation of the mode-specific induced non-radiative decay in 2-pyridone
저자
by
Barbatti, Mario
;
Aquino, Adélia J.A.
;
Lischka, Hans
.
소스
In
Chemical Physics
2008 349(1):278-286
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25 . Academic Journal
The interplay of skeletal deformations and ultrafast excited-state intramolecular proton transfer: Experimental and theoretical investigation of 10-hydroxybenzo[ h]quinoline
저자
by
Schriever, Christian
;
Barbatti, Mario
;
Stock, Kai
;
Aquino, Adélia J.A.
;
Tunega, Daniel
, et al.
소스
In
Chemical Physics
2008 347(1):446-461
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27 . Academic Journal
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
저자
by
Lischka, Hans
;
Shepard, Ron
;
Müller, Thomas
;
Szalay, Péter G.
;
Pitzer, Russell M.
, et al.
소스
Journal of Chemical Physics
. 4/7/2020, Vol. 152 Issue 13, p1-22. 22p. 6 Diagrams, 3 Charts, 6 Graphs.
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27 . Academic Journal
Classification of doubly excited molecular electronic states.
저자
by
do Casal, Mariana T.
;
Toldo, Josene M.
;
Barbatti, Mario
;
Plasser, Felix
.
소스
Chemical Science; 4/21/2023, Vol. 14 Issue 15, p4012-4026, 15p
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