On the influence of confinement effects on electric properties: An ab initio study

Keywords

Ab initio, Dipole, RADIUS, Hyperpolarizability, Nanotube

References

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Cited by

• Vibrational frequencies of fullerenes C60 and C70 under pressure studied with a quantum chemical model including spatial confinement effects.Robert Butroyd, Bridget Somekh — 2014
• On the directional character of orbital compression: A model study of the electric properties of LiH–(He)n complexesMarta Chołuj, Justyna Kozłowska, Agnieszka Roztoczyńska — 2015
• On the particular importance of vibrational contributions to the static electrical properties of model linear molecules under spatial confinement.Robert Zaleśny, Robert W. Góra, Josep M. Luis — 2015
• About diverse behavior of the molecular electric properties upon spatial confinementJustyna Kozłowska, Agnieszka Roztoczyńska, Wojciech Bartkowiak — 2015
• Electric dipole hyperpolarizability of the beryllium atom in the gas phase and in spatial confinementKrzysztof Strasburger, Paulina Naciążek — 2014
• Linear and nonlinear electric properties of spatially confined LiH molecule, studied with the finite field methodWojciech Bartkowiak, Krzysztof Strasburger — 2010
• Tuning the energy barrier of water exchange reactions on Al(III) by interaction with the single-walled carbon nanotubes.Hui Feng, Zhaosheng Qian, Chen Wang — 2011
• The hydrogen molecule inside prolate spheroidal boxes: full nuclear position optimizationRicardo Colín‐Rodríguez, S. A. Cruz — 2010
• On decomposition of interaction-induced electric properties of HF dimerBartłomiej Skwara, Anna Kaczmarek‐Kędziera, Robert W. Góra — 2008
• Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case studyAgnieszka Roztoczyńska, Justyna Kozłowska, Paweł Lipkowski — 2014
• Electric dipole (hyper)polarizabilities of spatially confined LiH molecule.Robert W. Góra, Robert Zaleśny, Justyna Kozłowska — 2012
• Spheroidal confinement of a single electron and of the hydrogen atom, the H 2+ and HeH++ molecular ions with arbitrary nuclear positions along the major axisS. A. Cruz, Ricardo Colín‐Rodríguez — 2009
• Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene.Robert Zaleśny, Robert W. Góra, Justyna Kozłowska — 2013
• On the nonlinear electrical properties of molecules in confined spaces – From cylindrical harmonic potential to carbon nanotube cagesJustyna Kozłowska, Robert Zaleśny, Wojciech Bartkowiak — 2014
• The effect of spatial confinement on the noble-gas HArF molecule: structure and electric propertiesJustyna Kozłowska, Wojciech Bartkowiak — 2014
• Confinement of (HF)2 in Cn (n = 60, 70, 80, 90) cagesMunmun Khatua, Sudip Pan, Pratim Kumar Chattaraj — 2014
• Hydrogen-bonded complexes upon spatial confinement: structural and energetic aspects.Paweł Lipkowski, Justyna Kozłowska, Agnieszka Roztoczyńska — 2014
• Many-electron atom confinement by a penetrable spherical boxC. Díaz‐García, S. A. Cruz — 2008
• The influence of the chemical compression on the electric properties of molecular systems within the supermolecular approximation: the LiH molecule as a case study.Anna Kaczmarek‐Kędziera, Wojciech Bartkowiak — 2009
• Energy-level structure of the hydrogen atom confined by a penetrable cylindrical cavityR. Cabrera‐Trujillo, Ricardo Méndez-Fragoso, S. A. Cruz — 2016

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