Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Other literature type . 2026
License: CC BY
Data sources: ZENODO
ZENODO
Data Paper . 2026
License: CC BY
Data sources: Datacite
ZENODO
Data Paper . 2026
License: CC BY
Data sources: Datacite
 View all 2 versions
Claim

Design principles for next generation of small organic molecules for Photodynamics therapy revealed by nonadiabatic molecular dynamics (LVC.template)

descriptionPublicationkeyboard_double_arrow_right Data Paper , Other literature type 14 Jan 2026Publisher:Zenodo
Authors: Rocha, Vinícius do Nascimento;

doi: 10.5281/zenodo.18237795 , 10.5281/zenodo.18237794

Design principles for next generation of small organic molecules for Photodynamics therapy revealed by nonadiabatic molecular dynamics (LVC.template)

Abstract

The LVC.template file explicitly collects all constants of the Linear Vibronic Coupling model, diabatic energies, spin--orbit couplings, intrastate linear vibronic constants, interstate vibronic constants, as well as charges and multipolar properties,and is used by SHARC to construct the LVC Hamiltonian employed in nonadiabatic dynamics simulations. More information about the code and the LVC.template can be obtained in the SHARC Manual (SHARC4.0 (2025).SHARC MANUAL.) This repository conatins the LVC.template of the manuscript: Design principles for next generation of smallorganic molecules for Photodynamics therapy revealed by nonadiabatic molecular dynamics

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 0
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green