المؤلفون: Peccati, Francesca

المساهمون: University/Department: Universitat Autònoma de Barcelona. Departament de Química

مرشدي الرسالة: Sodupe, Mariona, Solans-Monfort, Xavier

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: TDDFT, Marcadors fluorescents, Marcadores fluorescentes, Fluorescent markers, Malaltia de Alzheimer, Enfermedad de alzheimer, Alzehimer's disease, Ciències Experimentals

وصف الملف: application/pdf

الوصول الحر: http://hdl.handle.net/10803/399514Test

المؤلفون: Rappoport, Dmitrij, Bekoe, Samuel, Mohanam, Luke Nambi, Le, Scott, George, Naje’, Shen, Ziyue, Furche, Filipp

المصدر: Journal of Computational Chemistry. 44(11)

مصطلحات موضوعية: iterative algorithms, Krylov space methods, open-source software, TDDFT, TDHF, Physical Chemistry (incl. Structural), Theoretical and Computational Chemistry, Nanotechnology, Chemical Physics

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/6z7063c6Test

المؤلفون: Eid Mohamed R., Jamshed Wasim, Abd-Elmonem Assmaa, Al-Hossainy Ahmed F., Almutlaq Nasser, Amjad Ayesha, El Din Sayed M.

المصدر: Nanotechnology Reviews, Vol 12, Iss 1, Pp 89-101 (2023)

مصطلحات موضوعية: [na-alg/mos2 + go]h, rotating flow, structure characteristics, tddft, lorentz force, keller-box method, Technology, Chemical technology, TP1-1185, Physical and theoretical chemistry, QD450-801

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/2191-9097Test

الوصول الحر: https://doaj.org/article/c8d539e1ba8748e29a36c92f5c91edc3Test

المؤلفون: Xiu Wang, Dr. Yu Mao, Dr. Ziyun Wang

المصدر: ChemElectroChem, Vol 11, Iss 8, Pp n/a-n/a (2024)

مصطلحات موضوعية: Electrocatalysts, CO2 Reduction Reaction, Localized Surface Plasmon Resonance, TDDFT, Plasmonic-assisted Chemical Reaction, Industrial electrochemistry, TP250-261, Chemistry, QD1-999

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/2196-0216Test

الوصول الحر: https://doaj.org/article/b6e29131427c49b0bac3bd9f3a19ebb2Test

المؤلفون: Eva Vandaele, Momir Mališ, Sandra Luber

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biotechnology, Sociology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, local diabatisation method, singlet excited states, analyzed using tddft, evaluated using sa, benzene using sa, order perturbation theory, branching space coordinates, s2 excited states, branching space, s2 states, tddft ), nonadiabatic coupling, diabatic representation, consistent field

العلاقة: https://figshare.com/articles/journal_contribution/A_Local_Diabatisation_Method_for_Two-State_Adiabatic_Conical_Intersections/24942536Test

الإتاحة: https://doi.org/10.1021/acs.jctc.3c01008.s001Test
https://figshare.com/articles/journal_contribution/A_Local_Diabatisation_Method_for_Two-State_Adiabatic_Conical_Intersections/24942536Test

المؤلفون: Liu, Hao-Wen, Liu, Wen-Hao, Suo, Zhao-Jun, Wang, Zhi, Luo, Jun-Wei, Li, Shu-Shen, Wang, Lin-Wang

المصدر: Proceedings of the National Academy of Sciences of the United States of America. 119(28)

مصطلحات موضوعية: Physical Sciences, Chemical Sciences, Physical Chemistry, order and disorder dynamics, photoinduced phase transition, rt-TDDFT

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/06w0n0vnTest

المؤلفون: Margarita Bužančić Milosavljević, Martina Perić Bakulić, Željka Sanader Maršić, Antonija Mravak, Vlasta Bonačić-Koutecký

المصدر: Nanomaterials, Vol 14, Iss 12, p 1034 (2024)

مصطلحات موضوعية: bio-nano sensitizer, cyanidin-NC hybrid, DFT, TDDFT, light harvesting efficiency, coinage metal atoms, Chemistry, QD1-999

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/2079-4991/14/12/1034Test; https://doaj.org/toc/2079-4991Test

الوصول الحر: https://doaj.org/article/dbc54f5ac4054317b2b02835e39d5fb8Test

المؤلفون: An, Dong, Fang, Di, Lin, Lin

مصطلحات موضوعية: Quantum Physics, Atomic, Molecular and Optical Physics, Physical Sciences, Quantum dynamics, Parallel transport gauge, Metallic systems, TDDFT, Mathematical Sciences, Engineering, Applied Mathematics, Mathematical sciences, Physical sciences

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/9bw7f2qkTest
https://escholarship.org/content/qt9bw7f2qk/qt9bw7f2qk.pdfTest

المؤلفون: Antonia Sarantou, Athanassios Tsipis

المصدر: Molecules, Vol 29, Iss 2, p 403 (2024)

مصطلحات موضوعية: photocatalytic CO 2 reduction, DFT/TDDFT, Pt(II) pincer complexes, T 1 excited state electrochemistry, CO 2 fixation/activation by Pt, Organic chemistry, QD241-441

العلاقة: https://www.mdpi.com/1420-3049/29/2/403Test; https://doaj.org/toc/1420-3049Test; https://doaj.org/article/c279d94f4ae64b5d88e01b14ace8d8d2Test

الإتاحة: https://doi.org/10.3390/molecules29020403Test
https://doaj.org/article/c279d94f4ae64b5d88e01b14ace8d8d2Test

المؤلفون: Yuening Yu, Zhenqing Yang, Yuhong Xia, Yuzhuo Lv, Wansong Zhang, Chundan Lin, Changjin Shao

المصدر: Frontiers in Chemistry, Vol 11 (2023)

مصطلحات موضوعية: photocatalytic hydrogen production, organic photosensitizer, DFT/TDDFT, redox potential, absorption spectrum, Chemistry, QD1-999

وصف الملف: electronic resource

العلاقة: https://www.frontiersin.org/articles/10.3389/fchem.2023.1210501/fullTest; https://doaj.org/toc/2296-2646Test

الوصول الحر: https://doaj.org/article/a79ab25a43bd4e1d9f4521044400c98fTest