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An inversion technique for the calculation of embedding potentials
An inversion technique for the calculation of embedding potentials
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An inversion technique for the calculation of embedding potentials

Roncero, O. ; de Lara-Castells, M. P. ; Villarreal, P. ; Flores, F. ; Ortega, J. ; Paniagua, M. ; Aguado, A.

The Journal of chemical physics, 2008-11, Vol.129 (18), p.184104-184104-12 [Periódico revisado por pares]

United States: American Institute of Physics

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2
Theoretical study of the interaction of molecular oxygen with a reduced TiO2 surface
Theoretical study of the interaction of molecular oxygen with a reduced TiO2 surface
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Theoretical study of the interaction of molecular oxygen with a reduced TiO2 surface

DE LARA-CASTELLS, M. P ; KRAUSE, Jeffrey L

Chemical physics letters, 2002-03, Vol.354 (5-6), p.483-490 [Periódico revisado por pares]

Amsterdam: Elsevier Science

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3
Theoretical study of the UV-induced desorption of molecular oxygen from the reduced TiO2 (110) surface
Theoretical study of the UV-induced desorption of molecular oxygen from the reduced TiO2 (110) surface
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Theoretical study of the UV-induced desorption of molecular oxygen from the reduced TiO2 (110) surface

de Lara-Castells, M. P. ; Krause, Jeffrey L.

The Journal of chemical physics, 2003-03, Vol.118 (11), p.5098-5105 [Periódico revisado por pares]

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4
Assessing the Performance of Dispersionless and Dispersion-Accounting Methods: Helium Interaction with Cluster Models of the TiO2(110) Surface
Assessing the Performance of Dispersionless and Dispersion-Accounting Methods: Helium Interaction with Cluster Models of the TiO2(110) Surface
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Assessing the Performance of Dispersionless and Dispersion-Accounting Methods: Helium Interaction with Cluster Models of the TiO2(110) Surface

de Lara-Castells, María Pilar ; Stoll, Hermann ; Mitrushchenkov, Alexander O

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (33), p.6367-6384 [Periódico revisado por pares]

United States: American Chemical Society

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5
Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system
Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system
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Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system

Roncero, O ; de Lara-Castells, M P ; Delgado-Barrio, G ; Villarreal, P ; Stoecklin, T ; Voronin, A ; Rayez, J C

The Journal of chemical physics, 2008-04, Vol.128 (16), p.164313-164313 [Periódico revisado por pares]

United States

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6
Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: a quantum-mechanical study
Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: a quantum-mechanical study
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Vibrational quenching of CO2(010) by collisions with O(3P) at thermal energies: a quantum-mechanical study

de Lara-Castells, M P ; Hernández, Marta I ; Delgado-Barrio, G ; Villarreal, P ; López-Puertas, M

The Journal of chemical physics, 2006-04, Vol.124 (16), p.164302-164302 [Periódico revisado por pares]

United States

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7
Complete basis set extrapolation limit for electronic structure calculations: Energetic and nonenergetic properties of HeBr and HeBr2 van der Waals dimers
Complete basis set extrapolation limit for electronic structure calculations: Energetic and nonenergetic properties of HeBr and HeBr2 van der Waals dimers
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Complete basis set extrapolation limit for electronic structure calculations: Energetic and nonenergetic properties of HeBr and HeBr2 van der Waals dimers

de Lara-Castells, M. P. ; Krems, R. V. ; Buchachenko, A. A. ; Delgado-Barrio, G. ; Villarreal, P.

The Journal of chemical physics, 2001-12, Vol.115 (22), p.10438-10449 [Periódico revisado por pares]

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8
Helium mediated deposition: modeling the He-TiO2(110)-(1×1) interaction potential and application to the collision of a helium droplet from density functional calculations
Helium mediated deposition: modeling the He-TiO2(110)-(1×1) interaction potential and application to the collision of a helium droplet from density functional calculations
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Helium mediated deposition: modeling the He-TiO2(110)-(1×1) interaction potential and application to the collision of a helium droplet from density functional calculations

Aguirre, Néstor F ; Mateo, David ; Mitrushchenkov, Alexander O ; Pi, Martí ; de Lara-Castells, María Pilar

The Journal of chemical physics, 2012-03, Vol.136 (12), p.124703-124703 [Periódico revisado por pares]

United States: American Institute of Physics

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9
Doped helium clusters analyzed through quantum chemistry methods
Doped helium clusters analyzed through quantum chemistry methods
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Doped helium clusters analyzed through quantum chemistry methods

de Lara-Castells, M. P. ; Prosmiti, R. ; López-Durán, D. ; Delgado-Barrio, G. ; Villarreal, P. ; Gianturco, F. A. ; Jellinek, J.

International journal of quantum chemistry, 2007, Vol.107 (14), p.2902-2921 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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10
Energy Performance Forecasting of Residential Buildings Using Fuzzy Approaches
Energy Performance Forecasting of Residential Buildings Using Fuzzy Approaches
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Energy Performance Forecasting of Residential Buildings Using Fuzzy Approaches

Nebot, Àngela ; Mugica, Francisco

Applied sciences, 2020-01, Vol.10 (2), p.720 [Periódico revisado por pares]

Basel: MDPI AG

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