Erakusten 1 - 20 emaitzak -- 78 bilaketa honetara '"Time Dependent Density Functional Theory"', Bilaketaren denbora: 1,53s Findu emaitzak
  1. 1
    Tunable plasmons in regular planar arrays of graphene nanoribbons with armchair and zigzag-shaped edges

    Tunable plasmons in regular planar arrays of graphene nanoribbons with armchair and zigzag-shaped edges nork Cristian Vacacela Gomez, Michele Pisarra, Mario Gravina, Antonello Sindona

    Argitaratua 2017-01-01
    Gaiak:
    Testu osoa
    Artikulua
  2. 2
    Benchmark Study on Phosphorescence Energies of Anthraquinone Compounds: Comparison between TDDFT and UDFT

    Benchmark Study on Phosphorescence Energies of Anthraquinone Compounds: Comparison between TDDFT and UDFT nork Yujie Guo, Lingyu Zhang, Zexing Qu

    Argitaratua 2023-04-01
    Gaiak:
    Testu osoa
    Artikulua
  3. 3
    Computational complexity of time-dependent density functional theory

    Computational complexity of time-dependent density functional theory nork J D Whitfield, M-H Yung, D G Tempel, S Boixo, A Aspuru-Guzik

    Argitaratua 2014-01-01
    Gaiak: “...time-dependent density functional theory...”
    Testu osoa
    Artikulua
  4. 4
    Time Evolution of Plasmonic Features in Pentagonal Ag Clusters

    Time Evolution of Plasmonic Features in Pentagonal Ag Clusters nork Nicola Domenis, Pablo Grobas Illobre, Margherita Marsili, Mauro Stener, Daniele Toffoli, Emanuele Coccia

    Argitaratua 2023-07-01
    Gaiak: “...time-dependent density functional theory...”
    Testu osoa
    Artikulua
  5. 5
    Si-atoms substitutions effects on the electronic and optical properties of coronene and ovalene

    Si-atoms substitutions effects on the electronic and optical properties of coronene and ovalene nork P Mocci, R Cardia, G Cappellini

    Argitaratua 2018-01-01
    Gaiak:
    Testu osoa
    Artikulua
  6. 6
    Simulation of attosecond transient soft x-ray absorption in solids using generalized Kohn–Sham real-time time-dependent density functional theory

    Simulation of attosecond transient soft x-ray absorption in solids using generalized Kohn–Sham real-time time-dependent density functional theory nork C D Pemmaraju

    Argitaratua 2020-01-01
    Gaiak: “...time-dependent density functional theory...”
    Testu osoa
    Artikulua
  7. 7
    Nonadiabatic Exchange-Correlation Potential for Strongly Correlated Materials in the Weak and Strong Interaction Limits

    Nonadiabatic Exchange-Correlation Potential for Strongly Correlated Materials in the Weak and Strong Interaction Limits nork Volodymyr Turkowski, Talat S. Rahman

    Argitaratua 2022-05-01
    Gaiak:
    Testu osoa
    Artikulua
  8. 8
    The Difference between Plasmon Excitations in Chemically Heterogeneous Gold and Silver Atomic Clusters

    The Difference between Plasmon Excitations in Chemically Heterogeneous Gold and Silver Atomic Clusters nork Fanjin Zeng, Lin Long, Shuyi Wang, Xiong Li, Shaohong Cai, Dongxiang Li

    Argitaratua 2024-07-01
    Gaiak: “...time-dependent density functional theory...”
    Testu osoa
    Artikulua
  9. 9
    Application of TD-DFT Theory to Studying Porphyrinoid-Based Photosensitizers for Photodynamic Therapy: A Review

    Application of TD-DFT Theory to Studying Porphyrinoid-Based Photosensitizers for Photodynamic Therapy: A Review nork Agnieszka Drzewiecka-Matuszek, Dorota Rutkowska-Zbik

    Argitaratua 2021-11-01
    Gaiak:
    Testu osoa
    Artikulua
  10. 10
    Fluorescence and photophysical properties of xylene isomers in water: with experimental and theoretical approaches

    Fluorescence and photophysical properties of xylene isomers in water: with experimental and theoretical approaches nork Muhammad Farooq Saleem Khan, Jing Wu, Bo Liu, Cheng Cheng, Mona Akbar, Yidi Chai, Aisha Memon

    Argitaratua 2018-01-01
    Gaiak:
    Testu osoa
    Artikulua
  11. 11
    Density functional theory studies of solid density plasmas

    Density functional theory studies of solid density plasmas nork Hollebon, P

    Argitaratua 2019
    Gaiak:
    Thesis
  12. 12
    Attosecond pulse generation from the interaction of Bromine molecule with bicircularly-polarized laser pulses

    Attosecond pulse generation from the interaction of Bromine molecule with bicircularly-polarized laser pulses nork E Irani

    Argitaratua 2019-12-01
    Gaiak:
    Testu osoa
    Artikulua
  13. 13
    Multicomponent synthesis and photophysical study of novel α,β-unsaturated carbonyl depsipeptides and peptoids

    Multicomponent synthesis and photophysical study of novel α,β-unsaturated carbonyl depsipeptides and peptoids nork 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

    Argitaratua 2023-08-01
    Gaiak:
    Testu osoa
    Artikulua
  14. 14
    Theoretical Studies on Two-Photon Fluorescent Hg2+ Probes Based on the Coumarin-Rhodamine System

    Theoretical Studies on Two-Photon Fluorescent Hg2+ Probes Based on the Coumarin-Rhodamine System nork Yujin Zhang, Jiancai Leng

    Argitaratua 2017-07-01
    Gaiak:
    Testu osoa
    Artikulua
  15. 15
    Optical Activity of Spin‐Forbidden Electronic Transitions in Metal Complexes from Time‐Dependent Density Functional Theory with Spin‐Orbit Coupling

    Optical Activity of Spin‐Forbidden Electronic Transitions in Metal Complexes from Time‐Dependent Density Functional Theory with Spin‐Orbit Coupling nork Herbert D. Ludowieg, Prof. Monika Srebro‐Hooper, Dr. Jeanne Crassous, Prof. Jochen Autschbach

    Argitaratua 2022-05-01
    Gaiak:
    Testu osoa
    Artikulua
  16. 16
    Far Off Equilibrium Dynamics in Clusters and Molecules

    Far Off Equilibrium Dynamics in Clusters and Molecules nork Phuong Mai Dinh, Marc Vincendon, Jordan Heraud, Eric Suraud, Paul-Gerhard Reinhard

    Argitaratua 2020-02-01
    Gaiak: “...time-dependent density-functional theory...”
    Testu osoa
    Artikulua
  17. 17
    Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials

    Ab Initio Simulation of Attosecond Transient Absorption Spectroscopy in Two-Dimensional Materials nork Shunsuke A. Sato, Hannes Hübener, Umberto De Giovannini, Angel Rubio

    Argitaratua 2018-09-01
    Gaiak:
    Testu osoa
    Artikulua
  18. 18
    Computational Study of Photodegradation Process and Conversion Products of the Antidepressant Citalopram in Water

    Computational Study of Photodegradation Process and Conversion Products of the Antidepressant Citalopram in Water nork Yifan Shen, Se Wang, Ying Lu, Kai Chen, Li Luo, Ce Hao

    Argitaratua 2023-06-01
    Gaiak:
    Testu osoa
    Artikulua
  19. 19
    Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks

    Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks nork Andreas Windischbacher, Luca Steiner, Ritesh Haldar, Christof Wöll, Egbert Zojer, Anne-Marie Kelterer

    Argitaratua 2020-09-01
    Gaiak:
    Testu osoa
    Artikulua
  20. 20
    Structures and Spectroscopic Properties of Polysulfide Radical Anions: A Theoretical Perspective

    Structures and Spectroscopic Properties of Polysulfide Radical Anions: A Theoretical Perspective nork Tristram Chivers, Richard T. Oakley

    Argitaratua 2023-07-01
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    Testu osoa
    Artikulua

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