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1.
Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles.
Acc Chem Res
; 56(21): 2921-2932, 2023 11 07.
Article
in English
| MEDLINE | ID: mdl-37844298
2.
Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem II.
Angew Chem Int Ed Engl
; 62(16): e202216276, 2023 04 11.
Article
in English
| MEDLINE | ID: mdl-36791234
3.
Functional Water Networks in Fully Hydrated Photosystem II.
J Am Chem Soc
; 144(48): 22035-22050, 2022 12 07.
Article
in English
| MEDLINE | ID: mdl-36413491
4.
The Electronic Origin of Far-Red-Light-Driven Oxygenic Photosynthesis.
Angew Chem Int Ed Engl
; 61(16): e202200356, 2022 04 11.
Article
in English
| MEDLINE | ID: mdl-35142017
5.
Electrostatic profiling of photosynthetic pigments: implications for directed spectral tuning.
Phys Chem Chem Phys
; 23(43): 24677-24684, 2021 Nov 10.
Article
in English
| MEDLINE | ID: mdl-34708851
6.
Protein Matrix Control of Reaction Center Excitation in Photosystem II.
J Am Chem Soc
; 142(42): 18174-18190, 2020 10 21.
Article
in English
| MEDLINE | ID: mdl-33034453
7.
Microsolvation of the Redox-Active Tyrosine-D in Photosystem II: Correlation of Energetics with EPR Spectroscopy and Oxidation-Induced Proton Transfer.
J Am Chem Soc
; 141(7): 3217-3231, 2019 02 20.
Article
in English
| MEDLINE | ID: mdl-30666866
8.
Investigation of Chemical Bonding in In Situ Cryocrystallized Organometallic Liquids.
Chemphyschem
; 18(20): 2859-2863, 2017 Oct 19.
Article
in English
| MEDLINE | ID: mdl-28766864
9.
Elucidating substrate binding in the light-dependent protochlorophyllide oxidoreductase.
Chem Sci
; 15(20): 7767-7780, 2024 May 22.
Article
in English
| MEDLINE | ID: mdl-38784751
10.
Theoretical prediction of rare gas containing hydride cations: HRgBF+ (Rg = He, Ar, Kr, and Xe).
J Phys Chem A
; 117(41): 10772-82, 2013 Oct 17.
Article
in English
| MEDLINE | ID: mdl-24032346
11.
Structure of a ribonucleotide reductase R2 protein radical.
Science
; 382(6666): 109-113, 2023 10 06.
Article
in English
| MEDLINE | ID: mdl-37797025
12.
Chlorophyll excitation energies and structural stability of the CP47 antenna of photosystem II: a case study in the first-principles simulation of light-harvesting complexes.
Chem Sci
; 12(12): 4463-4476, 2021 Feb 12.
Article
in English
| MEDLINE | ID: mdl-34163712
13.
How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center.
J Chem Theory Comput
; 17(3): 1858-1873, 2021 Mar 09.
Article
in English
| MEDLINE | ID: mdl-33566610
14.
Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods.
J Phys Chem B
; 124(40): 8761-8771, 2020 10 08.
Article
in English
| MEDLINE | ID: mdl-32930590
15.
Crystal packing analysis of in situ cryocrystallized 2,2,2-tri-fluoro-aceto-phenone.
Acta Crystallogr E Crystallogr Commun
; 74(Pt 5): 607-612, 2018 May 01.
Article
in English
| MEDLINE | ID: mdl-29850076
16.
Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state.
Acta Crystallogr B Struct Sci Cryst Eng Mater
; 73(Pt 2): 140-152, 2017 Apr 01.
Article
in English
| MEDLINE | ID: mdl-28362276
17.
"Conformational lock"via unusual intramolecular C-FO[double bond, length as m-dash]C and C-HCl-C parallel dipoles observed in in situ cryocrystallized liquids.
Chem Commun (Camb)
; 52(45): 7225-8, 2016 Jun 07.
Article
in English
| MEDLINE | ID: mdl-27149236
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