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Structural single and multiple molecular adsorption of CO2 and H2O in zeolitic imidazolate framework (ZIF) crystals

Microporous and mesoporous materials, 2015-12, Vol.218, p.33-41

2015

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Towards the computations of accurate spectroscopic parameters and vibrational spectra for organic compounds

Molecular physics, 2015-07, Vol.113 (13-14), p.1661-1673

2015

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The torsion-torsion-bending spectrum of S-methyl thioformate

Journal of molecular structure, 2020-05, Vol.1208, p.127856, Article 127856

Senent, M.L.

2020

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The large amplitude motions of methylamine from the perspective of the highly correlated ab initio methods

Journal of molecular spectroscopy, 2018-01, Vol.343, p.28-33

Senent, M.L.

2018

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Theoretical investigations of the cyanogen anion

Chemical physics, 2009-01, Vol.355 (2), p.164-168

2009

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Submillimeter spectra of 2-hydroxyacetonitrile (glycolonitrile; HOCH2CN) and its searches in GBT PRIMOS observations of Sgr B2(N)

Astronomy and astrophysics (Berlin), 2017-05, Vol.601, p.A50

2017

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Structural single and multiple molecular adsorption of CO 2 and H 2 O in zeolitic imidazolate framework (ZIF) crystals

Microporous and mesoporous materials, 2015-12, Vol.218, p.33-41

2015

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DFT studies of single and multiple molecular adsorption of CH4, SF6 and H2O in Zeolitic-Imidazolate Framework (ZIF-4 and ZIF-6)

Inorganica Chimica Acta, 2019-05, Vol.490, p.272-281

2019

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Large amplitude vibrations of Urea in gas phase

Chemical physics letters, 2012-02, Vol.524, p.25-31

2012

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Photodissociation of the CH3O and CH3S radical molecules: an ab initio electronic structure study

Physical chemistry chemical physics : PCCP, 2017-11, Vol.19 (46), p.31245-31254

2017

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P030 Prognostic impact on survival of an unsuccessful conventional cytogenetic study in patients with myelodysplastic syndromes (MDS)

Leukemia research, 2009-05, Vol.33, p.S75-S76

2009

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Stability of Van der Waals complexes of the greenhouse effect gases CH4 and SF6 with imidazole in gas mixtures containing CO2

Computational and theoretical chemistry, 2016-10, Vol.1094, p.82-91

2016

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Stability of van der Waals complexes of the greenhouse effect gases NH3, SO2 and CO with imidazole in gas mixtures containing CO2

Computational and theoretical chemistry, 2017-01, Vol.1099, p.8-13

2017

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Temperature dependence of rotational excitation rate coefficients of C2H− in collision with He

Chemical physics letters, 2012-04, Vol.533, p.6-9

2012

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Vibrational energies of monodeuterated dimethyl ether based on high level ab initio potential energy surfaces

Chemical physics letters, 2014-01, Vol.592, p.200-205

2014

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Influence of the functionalization of imidazole on its CO2 uptake efficiency. A theoretical contribution

Computational and theoretical chemistry, 2015-12, Vol.1073, p.1-8

2015

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Retinopatía Purtscher-like asociada a dermatomiositis y linfohistiocitosis hemofagocítica

Archivos de la Sociedad Española de Oftalmología, 2018-04, Vol.93 (4), p.202-205

2018

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P029 Prognostic relevance of specific chromosomal abnormalities in chronic myelomonocytic leukemia

Leukemia research, 2009-05, Vol.33, p.S74-S75

2009

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Spectroscopic parameters of SiC4

Chemical physics letters, 2010-12, Vol.501 (1-3), p.25-29

2010

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Influence of the functionalization of imidazole on its CO 2 uptake efficiency. A theoretical contribution

Computational and theoretical chemistry, 2015-12, Vol.1073, p.1-8

2015

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Theoretical investigation of the torsional spectra of 2,2,2-trifluoroethanol

Chemical physics, 2001-05, Vol.266 (1), p.19-32

2001

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H 2 NSi radical: structures, isomerization pathways and electronic states characterization

Molecular physics, 2010-05, Vol.108 (10), p.1277-1284

2010

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A simple variational-numerical approach to the ro-vibrational spectrum of diatomic molecules

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2006-12, Vol.65 (5), p.1030-1034

2006

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Determination of the kinetic energy parameters of non-rigid molecules

Chemical physics letters, 1998-11, Vol.296 (3), p.299-306

Senent, M.L

1998

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Ab initio study of solvent effects on the acetohydroxamic acid deprotonation processes

Chemical physics, 2006-05, Vol.324 (2), p.350-358

2006

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Structural single and multiple molecular adsorption of CO2 and H2O in zeolitic imidazolate framework (ZIF) crystals

Towards the computations of accurate spectroscopic parameters and vibrational spectra for organic compounds

The torsion-torsion-bending spectrum of S-methyl thioformate

The large amplitude motions of methylamine from the perspective of the highly correlated ab initio methods

Theoretical investigations of the cyanogen anion

Submillimeter spectra of 2-hydroxyacetonitrile (glycolonitrile; HOCH2CN) and its searches in GBT PRIMOS observations of Sgr B2(N)

Structural single and multiple molecular adsorption of CO 2 and H 2 O in zeolitic imidazolate framework (ZIF) crystals

DFT studies of single and multiple molecular adsorption of CH4, SF6 and H2O in Zeolitic-Imidazolate Framework (ZIF-4 and ZIF-6)

Large amplitude vibrations of Urea in gas phase

Photodissociation of the CH3O and CH3S radical molecules: an ab initio electronic structure study

P030 Prognostic impact on survival of an unsuccessful conventional cytogenetic study in patients with myelodysplastic syndromes (MDS)

Stability of Van der Waals complexes of the greenhouse effect gases CH4 and SF6 with imidazole in gas mixtures containing CO2

Stability of van der Waals complexes of the greenhouse effect gases NH3, SO2 and CO with imidazole in gas mixtures containing CO2

Temperature dependence of rotational excitation rate coefficients of C2H− in collision with He

Vibrational energies of monodeuterated dimethyl ether based on high level ab initio potential energy surfaces

Influence of the functionalization of imidazole on its CO2 uptake efficiency. A theoretical contribution

Retinopatía Purtscher-like asociada a dermatomiositis y linfohistiocitosis hemofagocítica

P029 Prognostic relevance of specific chromosomal abnormalities in chronic myelomonocytic leukemia

Spectroscopic parameters of SiC4

Influence of the functionalization of imidazole on its CO 2 uptake efficiency. A theoretical contribution

Theoretical investigation of the torsional spectra of 2,2,2-trifluoroethanol

H 2 NSi radical: structures, isomerization pathways and electronic states characterization

A simple variational-numerical approach to the ro-vibrational spectrum of diatomic molecules

Determination of the kinetic energy parameters of non-rigid molecules

Ab initio study of solvent effects on the acetohydroxamic acid deprotonation processes

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