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ACS Sustainable Chemistry & Engineering|August 9, 2024
Mapping the Flammability Space of Sustainable Refrigerant Mixtures through an Artificial Neural Network Based on Molecular DescriptorsCarlos G Albà, Ismail I I Alkhatib, Lourdes F Vega, et al.
Physical Chemistry Chemical Physics : PCCP|June 5, 2020
Polar soft-SAFT: theory and comparison with molecular simulations and experimental data of pure polar fluidsIsmail I I Alkhatib, Luís M C Pereira, Jordi Torne, et al.
Nature Communications|March 18, 2025
Rational design of optimal bimetallic and trimetallic nickel-based single-atom alloys for bio-oil upgrading to hydrogenSeba AlAreeqi, Connor Ganley, Daniel Bahamon, et al.
Soft Matter|May 4, 2021
Unveiling the phase behavior of CE non-ionic surfactants in water through coarse-grained molecular dynamics simulationsEmanuel A Crespo, Lourdes F Vega, Germán Pérez-Sánchez, et al.
ACS Omega|July 11, 2022
Adhesion and Cohesion of Silica Surfaces with Quartz Cement: A Molecular Simulations StudySameer Al-Hajri, Daniel Bahamon, Md Motiur Rahman, et al.
The Journal of Chemical Physics|April 26, 2011
Application of a renormalization-group treatment to the statistical associating fluid theory for potentials of variable range (SAFT-VR)Esther Forte, Felix Llovell, Lourdes F Vega, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 13, 2009
Applications of computational geometry to the molecular simulation of interfacesFlorencio Balboa Usabiaga, Daniel Duque
Physical Chemistry Chemical Physics : PCCP|March 7, 2019
Insights into the influence of the molecular structures of fluorinated ionic liquids on their thermophysical properties. A soft-SAFT based approachMargarida L Ferreira, João M M Araújo, Ana B Pereiro, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|March 22, 2006
Nitrogen and water adsorption in aluminum methylphosphonate alpha: a molecular simulation studyCarmelo Herdes, Zhi Lin, Anabela Valente, et al.
The Science of the Total Environment|June 6, 2021
Current and future perspectives on catalytic-based integrated carbon capture and utilizationMuhammad Ashraf Sabri, Samar Al Jitan, Daniel Bahamon, et al.
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