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1 . Academic Journal
Nonadiabatic dynamics simulations of photoexcited urocanic acid
저자
by
Tuna, Deniz
;
Spörkel, Lasse
;
Barbatti, Mario
;
Thiel, Walter
.
소스
In
Chemical Physics
14 November 2018 515:521-534
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6 . Academic Journal
Adaptive time steps in trajectory surface hopping simulations.
저자
by
Spörkel, Lasse
;
Thiel, Walter
.
소스
Journal of Chemical Physics
. 2016, Vol. 144 Issue 19, p1-8. 8p. 2 Diagrams, 2 Charts, 9 Graphs.
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4 . Academic Journal
Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent protein.
저자
by
Armengol, Pau
;
Spörkel, Lasse
;
Gelabert, Ricard
;
Moreno, Miquel
;
Thiel, Walter
, et al.
소스
Physical Chemistry Chemical Physics (PCCP); 4/28/2018, Vol. 20 Issue 16, p11067-11080, 14p
Full Text (RSC Gold)
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7 . Academic Journal
Photoswitchingof Salicylidene Methylamine: A TheoreticalPhotodynamics Study.
저자
by
Spörkel, Lasse
;
Jankowska, Joanna
;
Thiel, Walter
.
소스
Journal of Physical Chemistry B
. Feb2015, Vol. 119 Issue 6, p2702-2710. 9p.
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5 . Periodical
Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters
저자
by
Dral, Pavlo O.
;
Wu, Xin
;
Spörkel, Lasse
;
Koslowski, Axel
;
Weber, Wolfgang
, et al.
소스
Journal of Chemical Theory and Computation; March 2016, Vol. 12 Issue: 3 p1082-1096, 15p
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7 . Periodical
Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties
저자
by
Dral, Pavlo O.
;
Wu, Xin
;
Spörkel, Lasse
;
Koslowski, Axel
;
Thiel, Walter
.
소스
Journal of Chemical Theory and Computation; March 2016, Vol. 12 Issue: 3 p1097-1120, 24p
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7 . Academic Journal
NonequilibriumH/D Isotope Effects from Trajectory-Based Nonadiabatic Dynamics.
저자
by
Spörkel, Lasse
;
Cui, Ganglong
;
Koslowski, Axel
;
Thiel, Walter
.
소스
Journal of Physical Chemistry A
. Jan2014, Vol. 118 Issue 1, p152-157. 6p.
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6 . Academic Journal
Photodynamics of Schiff Base Salicylideneaniline:Trajectory Surface-Hopping Simulations.
저자
by
Spörkel, Lasse
;
Cui, Ganglong
;
Thiel, Walter
.
소스
Journal of Physical Chemistry A
. Jun2013, Vol. 117 Issue 22, p4574-4583. 10p.
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5 .
Application and development of semiempirical quantum chemical methods for the investigation of the dynamics of electronically excited states
저자
by
Spörkel, Lasse
.
소스
Open Access (OpenAIRE)
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