المؤلفون: Yang Yubiao, Zhang Lei, Xiao Chao, Huang Zhencheng, Zhao Fuli, Yin Jinchang

المصدر: Nanophotonics, Vol 13, Iss 4, Pp 443-455 (2024)

مصطلحات موضوعية: rare-earth, photosensitizer, ultrafast dynamics, time-dependent density functional theory (td-dft), energy transfer, photodynamic therapy (pdt), Physics, QC1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2192-8614

URL الوصول: https://doaj.org/article/f2f619719341445dae5bc0d8e0946f0d

المؤلفون: Sallam Alagawani, Vladislav Vasilyev, Andrew H. A. Clayton, Feng Wang

المصدر: Molecules, Vol 29, Iss 12, p 2800 (2024)

مصطلحات موضوعية: tyrosine kinase inhibitors (TKIs), epidermal growth factor receptor (EGFR), absorption spectroscopy, time-dependent density functional theory (TD-DFT), ultraviolet-visible (UV-Vis), Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/12/2800; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/94c87beba34d464499768e6a1a93beb6

المؤلفون: João Otávio Anhaia-Machado, Artur Caminero Gomes Soares, Claudinéia Aparecida Sales de Oliveira Pinto, Andres Ignacio Ávila Barrera, André Rolim Baby, Gustavo Henrique Goulart Trossini

المصدر: Chemistry, Vol 5, Iss 1, Pp 41-53 (2022)

مصطلحات موضوعية: photoprotectors, natural products, molecular modeling, time-dependent density functional theory (TD-DFT), UV, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2624-8549/5/1/4; https://doaj.org/toc/2624-8549

URL الوصول: https://doaj.org/article/64ff777b49aa4fe4b1499ef852b88e13

المؤلفون: Ricelia González, Juliana Murillo-López, Walter Rabanal-León, Luis Prent-Peñaloza, Odette Concepción, Pedro Olivares, Yorley Duarte, Alexander F. de la Torre, Margarita Gutiérrez, Julio Caballero

المصدر: Frontiers in Chemistry, Vol 11 (2023)

مصطلحات موضوعية: multicomponent reactions, depsipeptides, peptoids, time-dependent density functional theory (TD-DFT), peptidomimetics, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fchem.2023.1245941/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/3a6cc0e00d8e4f81b96cdbf51be50e33

المؤلفون: Nguyen, Duy Duc, Jones, Nykola C., Hoffmann, Søren V., Spanget-Larsen, Jens

المصدر: Nguyen , D D , Jones , N C , Hoffmann , S V & Spanget-Larsen , J 2023 , ' Near and vacuum UV polarization spectroscopy of 1,4-distyrylbenzene ' , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , vol. 286 , 122019 . https://doi.org/10.1016/j.saa.2022.122019

مصطلحات موضوعية: Linear Dichroism (LD), Polarization spectroscopy, Near and vacuum UV, Synchrotron radiation, Stretched polyethylene, Time-Dependent Density Functional Theory (TD-DFT)

وصف الملف: application/pdf

الاتاحة: https://forskning.ruc.dk/da/publications/0dc75855-54dd-417a-b34c-72b02ebc8d51
https://doi.org/10.1016/j.saa.2022.122019
https://hdl.handle.net/1800/0dc75855-54dd-417a-b34c-72b02ebc8d51
https://rucforsk.ruc.dk/ws/files/100665389/1-s2.0-S1386142522011672-main.pdf

المؤلفون: Visby, Kristin, Spanget-Larsen, Jens

المصدر: Visby , K & Spanget-Larsen , J 2022 , ' On the complexity of the 1,3-dithiole-2-thione chromophore : UV-Vis polarization spectroscopy and theoretical calculations ' , Chemical Physics , vol. 560 , no. 2-3 , 111574 . https://doi.org/10.1016/j.chemphys.2022.111574

مصطلحات موضوعية: Linear Dichroism (LD), Polarization spectroscopy, Electronic transitions, UV-Vis spectroscopy, Time-Dependent Density Functional Theory (TD-DFT), Diffuse basis functions

وصف الملف: application/pdf

الاتاحة: https://forskning.ruc.dk/da/publications/1aff8f96-3feb-403c-8534-00d4f7a6a719
https://doi.org/10.1016/j.chemphys.2022.111574
https://hdl.handle.net/1800/1aff8f96-3feb-403c-8534-00d4f7a6a719
https://rucforsk.ruc.dk/ws/files/81962182/1_s2.0_S030101042200129X_main.pdf

المؤلفون: Thulstrup, Peter Waaben, Jones, Nykola Clare, Hoffmann, Søren Vrønning, Spanget-Larsen, Jens

المصدر: Thulstrup , P W , Jones , N C , Hoffmann , S V & Spanget-Larsen , J 2021 , ' UV polarisation spectroscopy of 1,4-diethynylbenzene ' , Molecular Physics , vol. 119 , no. 7 , e1853841 . https://doi.org/10.1080/00268976.2020.1853841

مصطلحات موضوعية: Ethynyl aromates, Electronic transitions, Synchrotron radiation, Linear dichroism (LD), Time dependent density functional theory (TD-DFT), Rydberg orbitals

وصف الملف: application/pdf

الاتاحة: https://forskning.ruc.dk/da/publications/fcfd52d7-6aab-4c68-b745-b9212aa6a1f9
https://doi.org/10.1080/00268976.2020.1853841
https://hdl.handle.net/1800/fcfd52d7-6aab-4c68-b745-b9212aa6a1f9
https://rucforsk.ruc.dk/ws/files/77762203/TMPH1853841_snapshot.pdf

المؤلفون: Agnieszka Drzewiecka-Matuszek, Dorota Rutkowska-Zbik

المصدر: Molecules; Volume 26; Issue 23; Pages: 7176

مصطلحات موضوعية: porphyrinoids, photodynamic therapy (PDT), time-dependent density functional theory (TD-DFT)

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Organic Chemistry; https://dx.doi.org/10.3390/molecules26237176

الاتاحة: https://doi.org/10.3390/molecules26237176

المؤلفون: Nguyen, Duy Duc, Jones, Nykola C., Hoffmann, Søren V., Spanget-Larsen, Jens

المصدر: Nguyen , D D , Jones , N C , Hoffmann , S V & Spanget-Larsen , J 2019 , ' UV synchrotron radiation linear dichroism spectroscopy of the anti-psoriatic drug anthralin ' , PeerJ , vol. 2019 , no. 1 , 1:e5 . https://doi.org/10.7717/peerj-pchem.5

مصطلحات موضوعية: Electronic transitions, Polarization spectroscopy, Linear dichroism (LD), Excited state intramolecular proton transfer (ESIPT), UV synchrotron radiation, Time-dependent density functional theory (TD-DFT)

وصف الملف: application/pdf

الاتاحة: https://forskning.ruc.dk/da/publications/80248c13-c377-49d0-a004-2ce290b06c16
https://doi.org/10.7717/peerj-pchem.5
https://hdl.handle.net/1800/80248c13-c377-49d0-a004-2ce290b06c16
https://rucforsk.ruc.dk/ws/files/65965947/peerj_pchem_5.pdf

المؤلفون: Nobumitsu Sunaga, Tomoyuki Haraguchi, Takashiro Akitsu

المصدر: Symmetry; Volume 11; Issue 9; Pages: 1094

مصطلحات موضوعية: chirality, azobenzene, photo-isomerization, Weigert effect, Schiff base complexes, gold nanoparticles, time-dependent density functional theory (TD-DFT)

وصف الملف: application/pdf

Relation: Chemistry and Symmetry/Asymmetry; https://dx.doi.org/10.3390/sym11091094

الاتاحة: https://doi.org/10.3390/sym11091094

المؤلفون: Ricelia González, Juliana Murillo-López, Walter Rabanal-León, Luis Prent-Peñaloza, Odette Concepción, Pedro Olivares, Yorley Duarte, Alexander F. de la Torre, Margarita Gutiérrez, Julio Caballero

مصطلحات موضوعية: Biochemistry, Environmental Chemistry, Geochemistry, Organic Chemistry, Inorganic Chemistry, Nuclear Chemistry, Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics), Medical Biochemistry and Metabolomics not elsewhere classified, Food Chemistry and Molecular Gastronomy (excl. Wine), Analytical Biochemistry, Cell Neurochemistry, Enzymes, Electroanalytical Chemistry, Analytical Chemistry not elsewhere classified, Organic Green Chemistry, Physical Organic Chemistry, Catalysis and Mechanisms of Reactions, Environmental Chemistry (incl. Atmospheric Chemistry), multicomponent reactions, depsipeptides, peptoids, time-dependent density functional theory (TD-DFT), peptidomimetics

Relation: https://figshare.com/articles/dataset/DataSheet1_Multicomponent_synthesis_and_photophysical_study_of_novel_-unsaturated_carbonyl_depsipeptides_and_peptoids_docx/23978634

الاتاحة: https://doi.org/10.3389/fchem.2023.1245941.s001
https://figshare.com/articles/dataset/DataSheet1_Multicomponent_synthesis_and_photophysical_study_of_novel_-unsaturated_carbonyl_depsipeptides_and_peptoids_docx/23978634

المؤلفون: Ife Fortunate Elegbeleye, Nnditshedzeni Eric Maluta, Rapela Regina Maphanga

المصدر: Cogent Engineering, Vol 5, Iss 1 (2018)

مصطلحات موضوعية: dye-sensitized solar cell(dssc), solar spectrum, dye molecules, time-dependent density functional theory(td-dft), Engineering (General). Civil engineering (General), TA1-2040

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2331-1916

URL الوصول: https://doaj.org/article/6907daed08794e8d882e7ec467826ede

المؤلفون: Yoshiki Natori, Yasutaka Kitagawa, Shogo Aoki, Rena Teramoto, Hayato Tada, Iori Era, Masayoshi Nakano

المصدر: Molecules; Volume 23; Issue 3; Pages: 577

مصطلحات موضوعية: phosphorescent light-emitting materials, time-dependent density functional theory (TD-DFT), optical property, fac -Ir(ppy) 3 complex, substituent effect

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Organic Chemistry; https://dx.doi.org/10.3390/molecules23030577

الاتاحة: https://doi.org/10.3390/molecules23030577

المؤلفون: Vojta, Danijela, Karlsen, Eva, Spanget-Larsen, Jens

المصدر: Vojta , D , Karlsen , E & Spanget-Larsen , J 2017 , ' Electronic states of myricetin : UV-Vis polarization spectroscopy and quantum chemical calculations ' , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , vol. 173 , pp. 182-187 . https://doi.org/10.1016/j.saa.2016.09.012

مصطلحات موضوعية: Linear dichroism, Time-Dependent Density Functional Theory (TD-DFT), Transition moment directions, UV-Vis polarization spectroscopy

وصف الملف: application/pdf

الاتاحة: https://forskning.ruc.dk/da/publications/bf584a24-daf0-4827-ad09-429fdcd92ab0
https://doi.org/10.1016/j.saa.2016.09.012
https://hdl.handle.net/1800/bf584a24-daf0-4827-ad09-429fdcd92ab0
https://rucforsk.ruc.dk/ws/files/62274833/Electronic_states_of_Myricetin._UV_Vis_polarization_spectroscopy_and_quantum_chemical_calculations.pdf

المؤلفون: Garcia, Ricardo D\'Agostino

Thesis Advisors: Trossini, Gustavo Henrique Goulart

مصطلحات موضوعية: Câncer de pele, Cinamatos, Cinnamates, Filtros solares, Modelagem molecular, Molecular modeling, Skin cancer, Sunscreens, Teoria do funcional da densidade tempo-dependente (TD-DFT), Time-dependent density functional theory (TD-DFT)

وصف الملف: application/pdf

الاتاحة: http://www.teses.usp.br/teses/disponiveis/9/9138/tde-11082014-162702/

المساهمون: Spanget-Larsen, J

المصدر: Journal of Molecular Spectroscopy; 264; 1

وصف الملف: Medium: X; Size: 19 - 25

URL الوصول: http://www.osti.gov/scitech/biblio/1020852

المؤلفون: Terenziani, Francesca, Katan, Claudine, Badaeva, Ekaterina, Tretiak, Sergei, Blanchard-Desce, Mireille

المساهمون: Molecular Materials for Advanced Applications (MMAA), Università degli studi di Parma = University of Parma (UNIPR)-INSTM-UdR Parma, Chimie et Photonique Moléculaires (CPM), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), University of Washington Seattle, Los Alamos National Laboratory (LANL), Theorical Division (LANL), CINT/LANL contract DE-AC52-06NA25396

المصدر: ISSN: 0935-9648.

مصطلحات موضوعية: Two-photon absorption (TPA), Nonlinear Optics, Chromophores, time-dependent Density Functional theory (TD-DFT), [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry

Relation: hal-00490264; https://hal.science/hal-00490264; https://hal.science/hal-00490264/document; https://hal.science/hal-00490264/file/review_070208.pdf

الاتاحة: https://hal.science/hal-00490264
https://hal.science/hal-00490264/document
https://hal.science/hal-00490264/file/review_070208.pdf
https://doi.org/10.1002/adma.200800402

المؤلفون: Martha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, Fabrizio Santoro

المصدر: Physical chemistry chemical physics (Online) 22 (2020): 26525–26535. doi:10.1039/D0CP04123H
info:cnr-pdr/source/autori:Martha Yaghoubi Jouybari, Yanli Liu, Roberto Improta and Fabrizio Santoro/titolo:Quantum dynamics of the pi-pi*%2Fn-pi* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase/doi:10.1039%2FD0CP04123H/rivista:Physical chemistry chemical physics (Online)/anno:2020/pagina_da:26525/pagina_a:26535/intervallo_pagine:26525–26535/volume:22

مصطلحات موضوعية: ultrafast dynamics, photoexcitation, time-dependent density functional theory (TD-DFT) calculations

URL الوصول: https://explore.openaire.eu/search/publication?articleId=cnr_________::0b1b384325b9cbbb16e3b158304166f6

المؤلفون: Nguyen, Duy Duc, Jones, Nykola C., Hoffmann, Søren Vrønning, Spanget-Larsen, Jens

المصدر: Nguyen , D D , Jones , N C , Hoffmann , S V & Spanget-Larsen , J 2019 , ' Electronic states of dibenzo-p dioxin. A synchrotron radiation linear dichroism investigation ' , Chemical Physics , vol. 519 , pp. 64-68 . https://doi.org/10.1016/j.chemphys.2018.12.003

مصطلحات موضوعية: Dibenzo-p-dioxin, Linear dichroism (LD), Near and vacuum UV, Polarization directions, Stretched polyethylene, Synchrotron radiation, Time-dependent density functional theory (TD-DFT)

Relation: https://pure.au.dk/portal/en/publications/2ad97979-ae4e-4279-8e58-cd0ba3c49dd6

الاتاحة: https://pure.au.dk/portal/en/publications/2ad97979-ae4e-4279-8e58-cd0ba3c49dd6
https://doi.org/10.1016/j.chemphys.2018.12.003

المؤلفون: Toliautas, Stepas, Dodonova, Jelena, Žvirblis, Audrius, Čiplys, Ignas, Polita, Artūras, Devižis, Andrius, Tumkevičius, Sigitas, Šulskus, Juozas, Vyšniauskas, Aurimas

المصدر: Chemistry - A European journal, Weinheim : Wiley-VCH, 2019, vol. 25, iss. 44, p. 10342-10349 ; ISSN 0947-6539 ; eISSN 1521-3765

مصطلحات موضوعية: fluorescence spectroscopy, molecular rotors, time-dependent density functional theory (TD-DFT), viscosity sensing

Relation: http://ftmc.lvb.lt/FTMC:ELABAPDB40364856&prefLang=en_US

الاتاحة: http://ftmc.lvb.lt/FTMC:ELABAPDB40364856&prefLang=en_US