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1 . Academic Journal
Impact of the redox state of flavin chromophores on the UV–vis spectra, redox and acidity constants and electron affinities
저자
by
Mondal, Padmabati
;
Schwinn, Karno
;
Huix-Rotllant, Miquel
.
소스
In
Journal of Photochemistry & Photobiology, A: Chemistry
15 January 2020 387
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5 . Report
Photoionization and core resonances from range-separated time-dependent density-functional theory for open-shell states: Example of the lithium atom
저자
by
Toulouse, Julien
;
Schwinn, Karno
;
Zapata, Felipe
;
Levitt, Antoine
;
Cancès, Eric
, et al.
소스
Open Access (Arxiv)
Find it @ DONGA
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7 . Academic Journal
Photoionization and core resonances from range-separated density-functional theory: General formalism and example of the beryllium atom.
저자
by
Schwinn, Karno
;
Zapata, Felipe
;
Levitt, Antoine
;
Cancès, Éric
;
Luppi, Eleonora
, et al.
소스
Journal of Chemical Physics
. 6/14/2022, Vol. 156 Issue 22, p1-14. 14p.
Full Text (AIP)
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7 . Report
Efficient analytic second derivative of electrostatic embedding QM/MM energy: normal mode analysis of plant cryptochrome
저자
by
Schwinn, Karno
;
Ferré, Nicolas
;
Huix-Rotllant, Miquel
.
소스
J. Chem. Theor. Comput. (2020)
Open Access (Arxiv)
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5 . Academic Journal
Photochemistry of Thymine in Solution and DNA Revealed by an Electrostatic Embedding QM/MM Combined with Mixed-Reference Spin-Flip TDDFT.
저자
by
Huix-Rotllant, Miquel
;
Schwinn, Karno
;
Pomogaev, Vladimir
;
Farmani, Maryam
;
Ferré, Nicolas
, et al.
소스
Journal of Chemical Theory & Computation; 1/10/2023, Vol. 19 Issue 1, p147-156, 10p
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7 . Academic Journal
Analytic QM/MM atomic charge derivatives avoiding the scaling of coupled perturbed equations with the MM subsystem size.
저자
by
Schwinn, Karno
;
Ferré, Nicolas
;
Huix-Rotllant, Miquel
.
소스
Journal of Chemical Physics
. 7/28/2019, Vol. 151 Issue 4, pN.PAG-N.PAG. 4p. 1 Diagram.
Full Text (AIP)
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5 . Academic Journal
Infrared spectroscopy from electrostatic embedding QM/MM: local normal mode analysis of infrared spectra of arabidopsis thaliana plant cryptochrome.
저자
by
Huix-Rotllant, Miquel
;
Schwinn, Karno
;
Ferré, Nicolas
.
소스
Physical Chemistry Chemical Physics (PCCP); 1/14/2021, Vol. 23 Issue 2, p1666-1674, 9p
Full Text (RSC Gold)
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5 . Academic Journal
UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein.
저자
by
Schwinn, Karno
;
Ferré, Nicolas
;
Huix-Rotllant, Miquel
.
소스
Physical Chemistry Chemical Physics (PCCP); 6/14/2020, Vol. 22 Issue 22, p12447-12455, 9p
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5 . Periodical
Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome
저자
by
Schwinn, Karno
;
Ferré, Nicolas
;
Huix-Rotllant, Miquel
.
소스
Journal of Chemical Theory and Computation; June 2020, Vol. 16 Issue: 6 p3816-3824, 9p
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5 .
Infrared spectroscopy from electrostatic embedding QM/MM: local normal mode analysis of blue-light-induced infrared spectra of arabidopsis thaliana plant cryptochrome
저자
by
Huix-Rotllant, Miquel
;
Schwinn, Karno
;
Ferré, Nicolas
;
Institut de Chimie Radicalaire (ICR)
;
Aix Marseille Université (AMU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
, et al.
소스
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, In press, ⟨10.1039/D0CP06070D⟩
Physical Chemistry Chemical Physics, 2021, 23, pp.1666. ⟨10.1039/D0CP06070D⟩
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