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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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12
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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13
Reduction of fumonisin B1 in extruded corn breakfast cereals with salt, malt and sugar in their formulation
Reduction of fumonisin B1 in extruded corn breakfast cereals with salt, malt and sugar in their formulation
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Reduction of fumonisin B1 in extruded corn breakfast cereals with salt, malt and sugar in their formulation

Castells, M. ; Ramos, A.J. ; Sanchis, V. ; Marín, S.

Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 2009-04, Vol.26 (4), p.512-517 [Periódico revisado por pares]

Abingdon: Taylor & Francis Group

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14
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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15
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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16
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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17
A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study
A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study
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A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study

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

Journal of physical chemistry. C, 2011-09, Vol.115 (35), p.17540-17557 [Periódico revisado por pares]

American Chemical Society

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18
Accurate ab initio prediction of the rovibrational energy levels and equilibrium geometry of carbonyl selenide (OCSe)
Accurate ab initio prediction of the rovibrational energy levels and equilibrium geometry of carbonyl selenide (OCSe)
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Accurate ab initio prediction of the rovibrational energy levels and equilibrium geometry of carbonyl selenide (OCSe)

PUZZARINI, C ; DE LARA-CASTELLS, M. P ; TARRONI, R ; PALMIERI, P ; DOMAISON, J

PCCP. Physical chemistry chemical physics (Print), 1999-09, Vol.1 (17), p.3955-3960 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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19
Periodic Hartree–Fock study of the adsorption of molecular oxygen on a reduced TiO2 (110) surface
Periodic Hartree–Fock study of the adsorption of molecular oxygen on a reduced TiO2 (110) surface
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Periodic Hartree–Fock study of the adsorption of molecular oxygen on a reduced TiO2 (110) surface

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

The Journal of chemical physics, 2001-09, Vol.115 (10), p.4798-4810 [Periódico revisado por pares]

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20
Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3 He Clusters
Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3 He Clusters
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Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3 He Clusters

de Lara-Castells, M. P. ; Mitrushchenkov, A. O. ; Delgado-Barrio, G. ; Villarreal, P.

Few-body systems, 2009-05, Vol.45 (2-4), p.233-236 [Periódico revisado por pares]

Wien: Springer Nature B.V

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