Original Research
Published on 30 Jun 2020
Solitons in Nuclear Time-Dependent Density Functional Theory
in Nuclear Physics​
Frontiers in Physics
doi 10.3389/fphy.2020.00154
- 3,859 views
- 9 citations
13 articles related to "Time Dependent Density Functional Theory"
Articles
Original Research
Published on 28 Feb 2022
Environment Effects on X-Ray Absorption Spectra With Quantum Embedded Real-Time Time-Dependent Density Functional Theory Approaches
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2022.823246
- 2,969 views
- 5 citations
Original Research
Published on 15 Jun 2021
Optical Response of Sila-Fulleranes in Interaction With Glycoproteins for Environmental Monitoring
in Chemical Physics and Physical Chemistry
Frontiers in Physics
doi 10.3389/fphy.2021.691034
- 2,311 views
- 6 citations
Original Research
Published on 05 Nov 2020
Theoretical Design of Dithienopicenocarbazole-Based Molecules by Molecular Engineering of Terminal Units Toward Promising Non-fullerene Acceptors
in Organic Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2020.580252
- 3,899 views
- 13 citations
Original Research
Published on 04 Jul 2022
Femtosecond Third-Order Non-Linear Optical Properties of Unconstrained Green Fluorescence Protein Chromophores
in Optics and Photonics
Frontiers in Physics
doi 10.3389/fphy.2022.914135
- 3,523 views
- 13 citations
Original Research
Published on 07 Aug 2020
A Ti-MOF Decorated With a Pt Nanoparticle Cocatalyst for Efficient Photocatalytic H2 Evolution: A Theoretical Study
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2020.00660
- 6,806 views
- 10 citations
Original Research
Published on 18 Sep 2023
Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1268278
- 2,501 views
- 3 citations
Original Research
Published on 06 Jul 2021
Plausible Pnicogen Bonding of epi-Cinchonidine as a Chiral Scaffold in Catalysis
in Catalysis and Photocatalysis
Frontiers in Chemistry
doi 10.3389/fchem.2021.669515
- 4,543 views
- 16 citations
Original Research
Published on 12 Jun 2020
Two-Photon Absorption Cross-Sections in Fluorescent Proteins Containing Non-canonical Chromophores Using Polarizable QM/MM
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2020.00111
- 8,078 views
- 14 citations
![Performance Regulation of Thieno[3,2-b]benzothiophene π-Spacer-Based D-π-A Organic Dyes for Dye-Sensitized Solar Cell Applications: Insights From Computational Study](https://www.frontiersin.org/files/myhome article library/438760/438760_Thumb_400.jpg)
Original Research
Published on 29 Jan 2019
Performance Regulation of Thieno[3,2-b]benzothiophene π-Spacer-Based D-π-A Organic Dyes for Dye-Sensitized Solar Cell Applications: Insights From Computational Study
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2018.00676
- 6,613 views
- 28 citations
Original Research
Published on 05 Feb 2014
TD-DFT insight into photodissociation of the Co-C bond in coenzyme B12
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2013.00041
- 10,016 views
- 14 citations
Original Research
Published on 17 Nov 2022
Furanoids from the Gymnadenia conopsea (Orchidaceae) seed germination supporting fungus Ceratobasidium sp. (GS2)
in Microbial Physiology and Metabolism
Frontiers in Microbiology
doi 10.3389/fmicb.2022.1037292
- 3,139 views
- 4 citations
Original Research
Published on 10 Oct 2022
Enhanced thermal and photo-stability of a para-substituted dicumyl ketone intercalated in a layered double hydroxide
in Inorganic Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2022.1004586
- 3,555 views