المؤلفون: Jansen, Marina, Reinholdt, Peter, Hedegård, Erik D., König, Carolin

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2304.11682

المؤلفون: Minh, Nghia Nguyen Thi, Begum, Afshan, Zhang, Jun, Leira, Petter, Todarwal, Yogesh, Linares, Mathieu, Norman, Patrick, Derbyshire, Dean, von Castelmur, Eleonore, Lindgren, Mikael, Hammarström, Per, Koenig, Carolin

المصدر: Journal of Physical Chemistry B. 127(30):6628-6635

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-196645
https://liu.diva-portal.org/smash/get/diva2:1788917/FULLTEXT01.pdf

المؤلفون: Nguyen Thi Minh, Nghia, König, Carolin

المساهمون: Deutsche Forschungsgemeinschaft, Niedersächsisches Ministerium für Wissenschaft und Kultur

المصدر: Journal of Computational Chemistry ; volume 45, issue 26, page 2232-2241 ; ISSN 0192-8651 1096-987X

الاتاحة: https://doi.org/10.1002/jcc.27385
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27385

المؤلفون: Artiukhin, Denis G., Klinting, Emil Lund, König, Carolin, Christiansen, Ove

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2002.04919

المؤلفون: Todarwal, Yogesh, Gustafsson, Camilla, Minh, Nghia Nguyen Thi, Ertzgaard, Ingrid, Klingstedt, Therese, Ghetti, Bernardino, Vidal, Ruben, Koenig, Carolin, Lindgren, Mikael, Nilsson, K. Peter R., Linares, Mathieu, Norman, Patrick

المصدر: Journal of Physical Chemistry B. 125(42):11628-11636

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-305622
https://doi.org/10.1021/acs.jpcb.1c06019

المؤلفون: König, Carolin, Skånberg, Robin, Hotz, Ingrid, Ynnerman, Anders, Norman, Patrick, Linares, Mathieu

المصدر: Chem. Commun., 2018,54, 3030-3033

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Biological Physics, Quantitative Biology - Biomolecules

URL الوصول: http://arxiv.org/abs/1808.07552

المؤلفون: Hellmers, Janine, König, Carolin

المصدر: The Journal of Chemical Physics 159 (2023), Nr. 10

مصطلحات موضوعية: Quantum chemical calculations, Quantum chemistry computer programs, Configuration interaction, Coupled-cluster methods, Potential energy surfaces, Self consistent field methods, Linear response, Multiscale methods, Vibrational spectra, ddc:540, ddc:530

Relation: ESSN:1089-7690; http://dx.doi.org/10.15488/17579; https://www.repo.uni-hannover.de/handle/123456789/17710

الاتاحة: https://www.repo.uni-hannover.de/handle/123456789/17710
https://doi.org/10.15488/17579

المؤلفون: Treger, Marvin, König, Carolin, Behrens, Peter, Schneider, Andreas M.

المصدر: Physical Chemistry Chemical Physics 25 (2023), Nr. 28 ; Physical Chemistry Chemical Physics

مصطلحات موضوعية: Density functional theory, Design for testability, Hybrid materials, Metal ions, Organometallics, Building units, Fine tuning, Hybrid inorganic-organic, Inorganic-organic materials, Inorganics, Metalorganic frameworks (MOFs), Modulars, Novel materials, Optical applications, Theoretical study, Refractive index, ddc:540

Relation: ESSN:1463-9084; http://dx.doi.org/10.15488/17317; https://www.repo.uni-hannover.de/handle/123456789/17445

الاتاحة: https://www.repo.uni-hannover.de/handle/123456789/17445
https://doi.org/10.15488/17317

المؤلفون: Thi Minh, Nghia Nguyen, Begum, Afshan, Zhang, Jun, Leira, Petter, Todarwal, Yogesh, Linares, Mathieu, Norman, Patrick, Derbyshire, Dean, von Castelmur, Eleonore, Lindgren, Mikael, Hammarström, Per, König, Carolin

المصدر: Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter 127 (2023), Nr. 30 ; Journal of Physical Chemistry B: Biophysics, Biomaterials, Liquids, and Soft Matter

مصطلحات موضوعية: Amyloid, Amyloidogenic Proteins, Amyloidosis, Binding Sites, Humans, ddc:540, ddc:530

Relation: ESSN:1520-5207; http://dx.doi.org/10.15488/15342; https://www.repo.uni-hannover.de/handle/123456789/15462

الاتاحة: https://www.repo.uni-hannover.de/handle/123456789/15462
https://doi.org/10.15488/15342

المؤلفون: König, Carolin, Christiansen, Ove

المصدر: The Journal of Chemical Physics 145, 064105 (2016)

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1605.01674

المؤلفون: Nguyen Thi Minh, Nghia, König, Carolin

المصدر: Physical chemistry, chemical physics : PCCP 24 (2022), Nr. 24 ; Physical chemistry, chemical physics : PCCP

مصطلحات موضوعية: Biomarkers, Fluorescent Dyes, Quantum Theory, Vibration, Degrees of freedom (mechanics), ddc:540

Relation: ESSN:1463-9084; http://dx.doi.org/10.15488/13767; https://www.repo.uni-hannover.de/handle/123456789/13877

الاتاحة: https://www.repo.uni-hannover.de/handle/123456789/13877
https://doi.org/10.15488/13767

المؤلفون: Grunewald, Camilla M., Haist, Corinna, König, Carolin, Petzsch, Patrick, Bister, Arthur, Nö�ner, Elfriede, Wiek, Constanze, Scheckenbach, Kathrin, Köhrer, Karl, Niegisch, Günter, Hanenberg, Helmut, Hoffmann, Michèle J.

المصدر: Frontiers in Immunology ; volume 12 ; ISSN 1664-3224

الاتاحة: http://dx.doi.org/10.3389/fimmu.2021.782448
https://www.frontiersin.org/articles/10.3389/fimmu.2021.782448/full

المؤلفون: Hellmers, Janine, Czember, Pascal, König, Carolin

Relation: https://doi.org/10.5281/zenodo.12754786; https://doi.org/10.5281/zenodo.14002766; oai:zenodo.org:14002766

الاتاحة: https://doi.org/10.5281/zenodo.14002766

المؤلفون: Hellmers, Janine, Czember, Pascal, König, Carolin

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2024-1nkq0-v3
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/672b59bc5a82cea2fa3b943f/original/tailored-anharmonic-potential-energy-surfaces-for-infrared-signatures.pdf

المؤلفون: Hellmers, Janine, Czember, Pascal, König, Carolin

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2024-1nkq0
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/66994a465101a2ffa8b821ee/original/tailored-anharmonic-potential-energy-surfaces-for-in-frared-signatures.pdf

المؤلفون: Klinting, Emil Lund, Christiansen, Ove, König, Carolin

المصدر: Klinting , E L , Christiansen , O & König , C 2020 , ' Toward Accurate Theoretical Vibrational Spectra : A Case Study for Maleimide ' , The Journal of Physical Chemistry A , vol. 124 , no. 13 , pp. 2616-2627 . https://doi.org/10.1021/acs.jpca.9b11915

وصف الملف: application/pdf

الاتاحة: https://pure.au.dk/portal/en/publications/140c8f70-a915-467c-bd01-6eb00d07321a
https://doi.org/10.1021/acs.jpca.9b11915
https://pure.au.dk/ws/files/265645696/Toward_Accurate_Theoretical_Vibrational_Spectra.pdf
http://www.scopus.com/inward/record.url?scp=85082979022&partnerID=8YFLogxK

المؤلفون: König, Carolin

المساهمون: Deutsche Forschungsgemeinschaft

المصدر: International Journal of Quantum Chemistry ; volume 121, issue 3 ; ISSN 0020-7608 1097-461X

الاتاحة: http://dx.doi.org/10.1002/qua.26375
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fqua.26375
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26375
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/qua.26375

المؤلفون: Madsen, Diana, Christiansen, Ove, Norman, Patrick, Koenig, Carolin

المصدر: Madsen , D , Christiansen , O , Norman , P & Koenig , C 2019 , ' Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations ' , Physical Chemistry Chemical Physics , vol. 21 , no. 31 , pp. 17410-17422 . https://doi.org/10.1039/c9cp03039e

مصطلحات موضوعية: FRANCK-CONDON FACTORS, SELF-CONSISTENT-FIELD, WAVE-FUNCTIONS, SPECTROSCOPY, ABSORPTION, MULTIMODE, MOLECULES, STATES, PHOTOIONIZATION, TRANSITIONS

وصف الملف: application/pdf

الاتاحة: https://pure.au.dk/portal/da/publications/vibrationally-resolved-emission-spectra-of-luminescent-conjugated-oligothiophenes-from-anharmonic-calculations(2d15d457-37fc-441f-bf8a-9e2b089fc4f5).html
https://doi.org/10.1039/c9cp03039e
https://pure.au.dk/ws/files/265706402/Vibrationally_resolved_emission_spectra_of_luminescent_conjugated_oligothiophenes_from_anharmonic_calculations.pdf

المؤلفون: König, Carolin

المصدر: http://lawcat.berkeley.edu/record/1255916.

Relation: http://lawcat.berkeley.edu/record/1255916

الاتاحة: http://lawcat.berkeley.edu/record/1255916

المؤلفون: Nguyen, Thi Minh Nghia, Todarwal, Yogesh, Linares, Mathieu, Norman, Patrick, König, Carolin

مصطلحات موضوعية: Ligand binding, Transthyretin, Binding free energy, Molecular Dynamics, Umbrella Sampling

Relation: https://doi.org/10.5281/zenodo.7961594; https://doi.org/10.5281/zenodo.8163485; oai:zenodo.org:8163485

الاتاحة: https://doi.org/10.5281/zenodo.8163485