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1دورية أكاديمية
المؤلفون: James A. Green, Martha Yaghoubi Jouybari, Daniel Aranda, Roberto Improta, Fabrizio Santoro
المصدر: Molecules, Vol 26, Iss 6, p 1743 (2021)
مصطلحات موضوعية: photoinduced processes, nonadiabatic interactions, quantum dynamics, vibronic spectra, nucleobases, Organic chemistry, QD241-441
وصف الملف: electronic resource
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المؤلفون: Qiushuang, Xu, Daniel, Aranda, Martha, Yaghoubi Jouybari, Yanli, Liu, Meishan, Wang, Javier, Cerezo, Roberto, Improta, Fabrizio, Santoro
المصدر: The journal of physical chemistry. A. 126(41)
مصطلحات موضوعية: Solvents, Quantum Theory, Water, Vibration, Thymine
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المصدر: The journal of physical chemistry. A. 125(40)
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المؤلفون: Daniel Aranda, Fabrizio Santoro, Martha Yaghoubi Jouybari, James A. Green, Roberto Improta
المصدر: Molecules (Basel, Online) 26 (2021): 1743-1–1743-23. doi:10.3390/molecules26061743
info:cnr-pdr/source/autori:Green J.A.; Jouybari M.Y.; Aranda D.; Improta R.; Santoro F./titolo:Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases/doi:10.3390%2Fmolecules26061743/rivista:Molecules (Basel, Online)/anno:2021/pagina_da:1743-1/pagina_a:1743-23/intervallo_pagine:1743-1–1743-23/volume:26
Molecules
Volume 26
Issue 6
Molecules, Vol 26, Iss 1743, p 1743 (2021)مصطلحات موضوعية: Quantum dynamics, Wave packet, Pharmaceutical Science, 010402 general chemistry, vibronic spectra, 01 natural sciences, Molecular physics, Article, Analytical Chemistry, lcsh:QD241-441, Cytosine, lcsh:Organic chemistry, 0103 physical sciences, Drug Discovery, Vibronic spectroscopy, Physical and Theoretical Chemistry, Physics::Chemical Physics, Uracil, Basis set, Physics, 010304 chemical physics, Adenine, Organic Chemistry, DNA, Internal conversion (chemistry), nonadiabatic interactions, nucleobases, photoinduced processes, 0104 chemical sciences, Vibronic coupling, Models, Chemical, Chemistry (miscellaneous), Excited state, quantum dynamics, RNA, Molecular Medicine, Density functional theory, Thymine
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0057933d21ce3d975c2b8909007ab996
https://publications.cnr.it/doc/452817 -
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المصدر: Journal of chemical theory and computation (Online) 17 (2021): 4660–4674. doi:10.1021/acs.jctc.1c00416
info:cnr-pdr/source/autori:Green J.A.; Yaghoubi Jouybari M.; Asha H.; Santoro F.; Improta R./titolo:Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair/doi:10.1021%2Facs.jctc.1c00416/rivista:Journal of chemical theory and computation (Online)/anno:2021/pagina_da:4660/pagina_a:4674/intervallo_pagine:4660–4674/volume:17مصطلحات موضوعية: Guanine, Quantum dynamics, Exciton, Population, fragment diabatization (FrD), 010402 general chemistry, 01 natural sciences, Molecular physics, Cytosine, Delocalized electron, multichromophore systems, 0103 physical sciences, Physical and Theoretical Chemistry, education, Base Pairing, Density Functional Theory, photophysics, Physics, education.field_of_study, 010304 chemical physics, parametrization, Hydrogen Bonding, Hartree, 0104 chemical sciences, Computer Science Applications, Vibronic coupling, ML-MCTDH, Excited state, quantum dynamics (QD) propagations, Density functional theory, linear vibronic coupling (LVC) model
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1914ad73fbf15f1e9174ad48506b6266
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المصدر: Physical chemistry chemical physics : PCCP. 22(45)
مصطلحات موضوعية: Cytosine, Light, Models, Chemical, Spectrum Analysis, Electrons, Cytidine, Gases, Vibration, Epigenesis, Genetic
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::e02b2052a6959db1f4e277db086d8882
https://pubmed.ncbi.nlm.nih.gov/33188675 -
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المؤلفون: Roberto Improta, Yanli Liu, Martha Yaghoubi Jouybari, Fabrizio Santoro
المصدر: Journal of chemical theory and computation (Online) 16 (2020): 5792–5808. doi:10.1021/acs.jctc.0c00455
info:cnr-pdr/source/autori:Yaghoubi Jouybari M.; Liu Y.; Improta R.; Santoro F./titolo:Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study/doi:10.1021%2Facs.jctc.0c00455/rivista:Journal of chemical theory and computation (Online)/anno:2020/pagina_da:5792/pagina_a:5808/intervallo_pagine:5792–5808/volume:16مصطلحات موضوعية: Physics, education.field_of_study, 010304 chemical physics, Quantum dynamics, Population, Diabatic, Hartree, 01 natural sciences, Computer Science Applications, symbols.namesake, Vibronic coupling, Excited state, 0103 physical sciences, Rydberg formula, symbols, quantum dynamics (QD), cytosine, linear vibronic coupling (LVC), time-dependent density functional theory (DFT), Density functional theory, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics, education
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9daea712c6b0708e448aad4909b9244
https://zenodo.org/record/5095550 -
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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:22مصطلحات موضوعية: ultrafast dynamics, photoexcitation, time-dependent density functional theory (TD-DFT) calculations
URL الوصول: https://explore.openaire.eu/search/publication?articleId=cnr_________::0b1b384325b9cbbb16e3b158304166f6
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