Carolin König

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 12

Top Topics

Density Functional Theory

Molecular Dynamics

Perovskite Solar Cells

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

Journal of computational chemistry

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Nghia Nguyen Thi Minh, Carolin König
The role of microenvironments on computed vibrationally-resolved emission spectra: The case of oxazines. Journal of computational chemistry 45 (26) (2024)
Nghia Nguyen Thi Minh, Carolin König
The role of microenvironments on computed vibrationally-resolved emission spectra: The case of oxazines. Journal of computational chemistry (2024)
Nghia Nguyen Thi Minh, Afshan Begum, Jun Zhang, Petter Leira, Yogesh Todarwal, Mathieu Linares, Patrick Norman, Dean Derbyshire, Eleonore von Castelmur, Mikael Lindgren, Per Hammarström, Carolin König
Binding of a Pyrene-Based Fluorescent Amyloid Ligand to Transthyretin: A Combined Crystallographic and Molecular Dynamics Study. The journal of physical chemistry. B (2023)
Marina Jansen, Peter Reinholdt, Erik Donovan Hedegård, Carolin König
Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra. The journal of physical chemistry. A (2023)
Marvin Treger, Carolin König, Nadeschda Schmidt, Andreas M Schneider
Fragment-based approach for the efficient calculation of the refractive index of metal-organic frameworks. Physical chemistry chemical physics : PCCP (2023)
Janine Hellmers, Erik Donovan Hedegård, Carolin König
Fragmentation-Based Decomposition of a Metalloenzyme-Substrate Interaction: A Case Study for a Lytic Polysaccharide Monooxygenase. The journal of physical chemistry. B 126 (29) (2022)
Nghia Nguyen Thi Minh, Carolin König
Tailored anharmonic-harmonic vibrational profiles for fluorescent biomarkers. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Yogesh Todarwal, Camilla Gustafsson, Nghia Nguyen Thi Minh, Ingrid Ertzgaard, Therése Klingstedt, Bernardino Ghetti, Ruben Vidal, Carolin König, Mikael Lindgren, K Peter R Nilsson, Mathieu Linares, Patrick Norman
Tau Protein Binding Modes in Alzheimer's Disease for Cationic Luminescent Ligands. The journal of physical chemistry. B 125 (42) (2021)
Janine Hellmers, Carolin König
A unified and flexible formulation of molecular fragmentation schemes. The Journal of chemical physics 155 (16) (2021)
Emil Lund Klinting, Ove Christiansen, Carolin König
Toward Accurate Theoretical Vibrational Spectra: A Case Study for Maleimide. The journal of physical chemistry. A 124 (13) (2020)
Diana Madsen, Ove Christiansen, Patrick Norman, Carolin König
Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations. Physical chemistry chemical physics : PCCP 21 (31) (2019)
Carolin König, Robin Skånberg, Ingrid Hotz, Anders Ynnerman, Patrick Norman, Mathieu Linares
Binding sites for luminescent amyloid biomarkers from non-biased molecular dynamics simulations. Chemical communications (Cambridge, England) 54 (24) (2018)