Thermodynamically sick molecules: searching for defective experimental enthalpies of formation values using empirical and quantum chemistry methods

Santos, Rui C.; Almeida, Tânia S.; Agapito, Filipe; Rui M. Borges dos Santos; Martinho Simões, José A.; Prasad, R. B. N.; Custódio, Luísa; Malcata, F. Xavier; Varela, João; Barreira, Luísa

Rui Borges

Position

Senior Researcher

Academic Degree

Doutoramento

Group Leader

Marine Molecular Bioengineering

Professor Category

Assistant

Based at

Faro, Gambelas Campus, UAlg

Office Nr

C8 3.8

Phone Nr

+351 289800985

Extension

7985

rmsantos@ualg.pt

ORCID ID

Organiza

Activities

Type of Event

Scientific Gathering

Workshop: FROM MOLECULES TO CRYSTALS AND BEYOND

This workshop brings together researchers and students (graduation, PhD) interested in crystal genesis, molecular energetics, and marine sciences on the 4th of June 2019 | Green Auditorium | Building...

Group

Marine Molecular Bioengineering

June 4, 2019

Green Auditorium | Building 8 | Gambelas Campus | University of Algarve

Type of Event

Other Events

ECOLOGICAL MUSIC - Call for reviewers

We want to use music to convey ecological concepts and foster environmental awareness. Together with musicians from the Mixed Music Lab, we’re preparing a concert called “Ecological Music”.

November 11, 2019

ANFUP (wood pavillion) l Gambela Campus

Publications

Year of Publication
2016	Gangadhar KN, Pereira H, Diogo HP, et al. Assessment and comparison of the properties of biodiesel synthesized from three different types of wet microalgal biomass. Journal of Applied Phycology. 2016;28(3):1571 - 1578. doi:10.1007/s10811-015-0683-5 Read more about Assessment and comparison of the properties of biodiesel synthesized from three different types of wet microalgal biomass Google Scholar DOI
2015	Agapito F, Santos RC, Borges dos Santos RM, Simões JAMartinh. The Thermochemistry of Cubane 50 Years after Its Synthesis: A High-Level Theoretical Study of Cubane and Its Derivatives. The Journal of Physical Chemistry A. 2015;119(12):2998 - 3007. doi:10.1021/jp511756v Read more about The Thermochemistry of Cubane 50 Years after Its Synthesis: A High-Level Theoretical Study of Cubane and Its Derivatives Google Scholar DOI
2013	Santos RC, Almeida TS, Agapito F, Borges dos Santos RM, Simões JAMartinh. Thermodynamically sick molecules: searching for defective experimental enthalpies of formation values using empirical and quantum chemistry methods. Structural Chemistry. 2013;24(6):2017 - 2026. doi:10.1007/s11224-013-0294-1 Read more about Thermodynamically sick molecules: searching for defective experimental enthalpies of formation values using empirical and quantum chemistry methods Google Scholar DOI

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