Tertius L. Fonseca

Instituto de Física La Plata — Argentina

Materials Science · Physical Sciences

22h-index1.5kcitations99works2.82yr avg

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Research Topics

Nonlinear Optical Materials Research(51), Advanced Chemical Physics Studies(20), Spectroscopy and Quantum Chemical Studies(15), Solid-state spectroscopy and crystallography(14), Photochemistry and Electron Transfer Studies(13)

Publications99 total

Water-Mediated Stability of Ionic Liquids Confined in Aqueous Droplets: Molecular Dynamics Insights with Atmospheric Parallels

The Journal of Physical Chemistry B·2025Open Access

Modeling supercapacitors with integrated conductors via molecular dynamics: Optimization and impacts on energy efficiency

1 cited

Journal of Power Sources·2025· 1 cited

Structural and electrochemical properties of graphene-based supercapacitors with water and methanol-co-solvated ionic liquids: a molecular dynamics study

2 cited

Journal of Molecular Liquids·2025· 2 cited

Impact of Chloride and Bromide Composition in Ionic Liquid/Water Electrolytes on the Electrochemical Performance of Graphene-Based Supercapacitors: A Molecular Dynamics Study

2 cited

The Journal of Physical Chemistry C·2025· 2 citedOpen Access

Systematic analysis to evaluate the impact of hydration on electrolytes [emim][BF4] and [cho][gly] in supercapacitors formed by graphene or graphyne electrodes

7 cited

Journal of Molecular Liquids·2024· 7 cited

Elucidating the Photophysics and Nonlinear Optical Properties of a Novel Azo Prototype for Possible Photonic Applications: A Quantum Chemical Analysis

4 cited

ACS Omega·2024· 4 citedOpen Access

Calculation of the geometry, absorption spectrum, and first hyperpolarizability of 4,5-dicyanoimidazole derivatives in solution. A multiscale ASEC–FEG study

3 cited

The Journal of Chemical Physics·2024· 3 cited

Understanding Nonlinear Optical Phenomena in N-Pyrimidinyl Stilbazolium Crystals via a Self-Consistent Electrostatic Embedding – DFT Approach

3 cited

ACS Omega·2024· 3 citedOpen Access

Investigating ionic liquid hydration effects at high temperatures: Insights from classic molecular dynamics simulations

8 cited

Journal of Molecular Liquids·2023· 8 cited

Elucidating the conformational change and electronic absorption spectrum of <i>p</i>-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities

3 cited

The Journal of Chemical Physics·2023· 3 cited

Theoretical investigation on the linear and nonlinear optical properties of DAPSH crystal

13 cited

Scientific Reports·2023· 13 citedOpen Access

Second hyperpolarizabilities of alkali- and alkaline-earth-doped boron nitride nanotubes

1 cited

Chemical Physics Letters·2023· 1 cited

Conformational Dependence of the First Hyperpolarizability of the Li@B10H14 in Solution

1 cited

Liquids·2023· 1 citedOpen Access

Bromine Substitution Effect on Structure, Reactivity, and Linear and Third-Order Nonlinear Optical Properties of 2,3-Dimethoxybenzaldehyde

10 cited

The Journal of Physical Chemistry A·2022· 10 cited

CCDC 2143189: Experimental Crystal Structure Determination

The Cambridge Structural Database·2022Open Access

CCDC 2143191: Experimental Crystal Structure Determination

The Cambridge Structural Database·2022Open Access

Density functional theory investigation of the second hyperpolarizability of the phenol blue in solution

8 cited

Chemical Physics Letters·2022· 8 cited

Second- and third-order nonlinear optical properties of mono-substituted terpenoid-like chalcones

6 cited

Journal of Photochemistry and Photobiology A Chemistry·2022· 6 cited

Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones

8 cited

New Journal of Chemistry·2022· 8 cited

Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water

6 cited

The Journal of Chemical Physics·2021· 6 cited

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Frequent Co-authors

Marcos A. Castro(32), Sylvio Canuto(13), Kaline Coutinho(11), Herbert C. Georg(11), Orlando A.V. Amaral(7), Guilherme Colherinhas(7), Leandro R. Franco(4), Idney Brandão(4), Heibbe C. B. de Oliveira(4), Leonardo Bruno Assis Oliveira(4), E. Uggerhøj(4), Clodoaldo Valverde(3), Francisco A. P. Osório(3), J.R. Sabino(3), O. L. Santos(2), Eudes Eterno Fileti(2), Salviano A. Leão(2), Sílvio Cunha(2), Emílio S. Naves(2), Orlando J. Silveira(2)