PAPERS (black=published; green=accepted)
 

141- Large amplitude motions of methylamine from the perspective of the highly correlated ab initio methods, M.L.Senent, J.Mol.Spectrosc, 343, 28-33 (2017).

http://dx.doi.org/10.1016/j.jms.2017.06.009

 

140-Photodissociation of the CH3O and CH3S radical molecules:An ab initio study, A. Bouallagui, A. Zanchet, O. Yazidi, N. Jaïdaneb, L. Bañares, M.L. Senent, and A. García-Vela, PCCP, 19, 31245-31254 (2017)

DOI: 10.1039/c7cp06054h

 

139- Theoretical characterization of the C6N chain from highly correlated ab initio methods, M. Al-Mogren and M.L.Senent, Astrophys.J., 842, 107-814 (2017)

https://doi.org/10.3847/1538-4357/aa719f

 

138- Structural and spectroscopic characterization of various isotopologues of 2-Hydroxyacetonitrile using highly correlated ab initio methods, S.Dalbouha, R.Domínguez-Gómez and M. L. Senent, European J. of Physics D, 71, 161-169   (2017)

10.1140/epjd/e2017-70748-y

 

137- Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters: Theory, Experiment, and Applications, M.L.Senent, M. Hochlaf and M.Carvajal, J. Phys. Chem. A, 2016, 120 (4), 475–476 (2016)

DOI: 10.1021/acs.jpca.5b12135

 

136- Stability of Van der Waals Complexes of the Greenhouse Effect Gases NH3, SO2 and CO with Imidazole in Gas Mixtures Containing CO2, S.Dalbouha, R.Boussessi, N. Komiha and M.L.Senent, Comput.Theor.Chem., 1099, 8-13 (2017)

http://dx.doi.org/10.1016/j.comptc.2016.11.005

 

135- Ab initio study of the low electronic states of the methyl radical, A.Zanchet, L. Bañares, M. L. Senent  and A.García-Vela, PCCP, 18, 33195 - 33203 (2016)

DOI: 10.1039/c6cp05960k

 

134- Stability of Van der Waals Complexes of the Greenhouse Effect Gases CH4 and SF6 with Imidazole in Gas Mixtures Containing CO2, R.Boussessi, S.Dalbouha, V. Timón, N.Komiha, N.Jaïdane and M.L. Senent, Comput.Theor.Chem.,  1094, 82-91 (2016)

 http://dx.doi.org/10.1016/j.comptc.2016.09.006

 

133- Structural and spectroscopic characterization of Methyl Isocyanate Methyl Cyanate, Methyl Fulminate, and Acetonitrile N-oxide using highly correlated ab initio methods, S.Dalbouha, M. L. Senent, N.Komiha, and R.Domínguez-Gómez, J.Chem.Phys., 145 (12), 124309 (2016)

http://dx.doi.org/10.1063/1.4963186

 

132- Submillimeter wave spectra of 2-Hydroxyacetonitrile (Glycolonitrile) HOCH2CN and its searches in SgrB2, L. Margulès, B. A. McGuire, M.L. Senent, R. A. Motiyenko, A. Remijan, and J.C. Guillemin, Astron & Astrophys, 601, A50 (2017)

 http://dx.doi.org/10.1051/0004-6361/201628551

 

131- Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states, S.M.Poullain, D.V. Chicharro, A. Zanchet, M.G.Gonzáles, L. Rubio-Largo, M. L. Senent, A. García Vela and L. Bañares, PCCP, 18, 17054-1706(2016)

DOI: 10.1039/C6CP01558A

 

130- Weak Intramolecular Interaction Effects on the Torsional Spectra of Ethylene Glycol, an Astrophysical Species, R.Boussessi, M.L.Senent and N.Jaïdane, J.Chem.Phys., 144, 164110 (2016)

http://dx.doi.org/10.1063/1.4947088

 

129-Femtosecond Predissociation Dynamics of the Methyl Radical from the 3 pz Rydberg Stat, G. Balerdi, J. Woodhouse, A. Zanchet, R. Nalda, M. L. Senent, A. García Vela and L. Bañares, PPCP, 18, 110-118 (2016)

DOI: 10.1039/c5cp05710h

 

128- Imaging the predissociation dynamics of the methyl radical from the 3pz Rydberg state, G. Balerdi, J. Woodhouse, A. Zanchet, R. Nalda, M. L. Senent, A. García Vela and L. Bañares, Journal of Physics: Conference Series, 635, 112032 (2015)

doi:10.1088/1742-6596/635/11/112032

 

127-Theoretical spectroscopic characterization at low temperatures of dimethylsulfoxide. The role of anharmonicity, M. L. Senent, S.Dalbouha, A.Cuisset and D. Sadovskii, J.Phys.Chem.A (Virtual Issue), 119, 9644-9652 (2015)

10.1021/acs.jpca.5b06941

 

126-Influence of the functionalization of Imidazole on CO2 uptake efficiency of ZIFs. A theoretical contribution, M. Salah, K. Marakchi, S.Dalbouha, M.L. Senent, OK.Kabbaj and N.Komiha, Computational and Theoretical Chemistry, 1073, 1-8 (2015)

http://dx.doi.org/10.1016/j.comptc.2015.09.010

 

125-A new ab initio potential energy surface for the collisional excitation of N2H+ by H2. Spielfiedel, M.L Senent, Y. Kalugina, C. Balança, F. Lique and N. Feautrier J.Chem.Phys., 143, 024301 (2015)

http://dx.doi.org/10.1063/1.4923440

 

124-Single and multiple molecular CO2 and H2O ab initio research adsorption in ZIF's Zeolitic imidazolate frameworks crystals, V.Timón, M.L.Senent and M.Hochlaf, Microporous and Mesoporous Materials, 218, 33-41 (2015)

doi:10.1016/j.micromeso.2015.06.035

 

123-Theoretical spectroscopic characterization of Dimethyl Carbonate,   OC (OCH3)2, at low temperatures, R. Boussesi, S.Guziani, M.L.Senent and N.Jaïdane,  J.Phys.Chem.A, 119, 4057-4064 (2015)

DOI: 10.1021/acs.jpca.5b01836

 

122-Explicitly correlated determination of Interaction Potential Energy Surfaces of the Imidazole+CO2 complex. S.Dalbouha, P. Muthuramalingam, V.Timón, N. Komiha, M.Hochlaf and M.L.Senent, Theor.Chem.Acc., 134, 63-73 (2015)

DOI 10.1007/s00214-015-1657-z

 

121-Towards the computations of accurate spectroscopic parameters and vibrational spectra for organic compounds, M.Hochlaf, C.Puzzarini and M.L.Senent, Mol.Phys., 113(13-14), 1661-1673 (2015)

http://dx.doi.org/10.1080/00268976.2014.1003986

 

120-Theoretical spectroscopic characterization at low temperatures of Methyl Hydroperoxide and various S-analogs, S.Dalbouha and M. L. Senent and N.Komiha, J. Chem. Phys. 142, 074304 (2015)

http://dx.doi.org/10.1063/1.4907941

 

119-Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sulfide isotopologues: a route toward their astrophysical detection, C.Puzzarini, M.L.Senent, R. Domínguez-Gómez, M. Carvajal and M. al Mogreen, Astrophys.J. 796, 50-60 (2014)

doi:10.1088/0004-637X/796/1/50

 

118- Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate. M.L.Senent, C.Puzzarini, M.Hochlaf, R.Domínguez-Gómez y M.Carvajal, J.Chem.Phys.,141, 104303 (2014)

http://dx.doi.org/10.1063/1.4894487

 

117-Vibrational energies for monodeuterated dimethyl ether based on high level ab initio potential energy surfaces, M.Carvajal, M.L.Senent, M.Villa and R.Domínguez-Gómez, Chem.Phys.Lett. 592, 200-205 (2014)

http://dx.doi.org/10.1016/j.cplett.2013.12.042

 

116- Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: ethyl mercaptan and dimethyl sulfide, M.L.Senent, C.Puzzarini, R.Domínguez-Gómez and M.Carvajal, J.Chem.Phys., 140 , 124302 (2014).

 

115-Highly correlated ab initio study of the low frequency modes of propane and various monosubstituted isotopologues containing D and 13C, M.Villa, M. L. Senent and M.Carvajal, PCCP, 15, 10258-10269 (2013)

DOI: 10.1039/c3cp50213a

 

113- Theoretical characterization of C7, C7-, and C7+, M. Al-Mogren, M.L.Senent and M.Hochlaf, J.Chem.Phys., 139, 064301 (2013);

http://dx.doi.org/10.1063/1.4817199

 

112- Cyanides/isocyanides abundances in the interstellar medium - II: Inelastic rate coefficients of Al and Mg compounds, M. Hernández Vera, F.Lique, F. Dumouchel, J. Klos, J.Rubayo Soneira and M.L.Senent, Mon.Not.R.Astron.Soc., 432, 468-477 (2013).

doi:10.1093/mnras/stt481

 

111- Electronic structure and spectroscopy of MgO3+ cation, O.Yazidi, A. Ben Houria and Z.Ben Lakhdar, M.L.Senent and M.Hochlaf, J.Chem.Phys., 136, 024316 (2012)

doi: 10.1063/1.3674164

 

110- Highly correlated ab initio study of Methyl Acetate Far Infrared Spectra, M.L.Senent, R.Dominguez-Gómez, M. Carvajal and I.Kleiner, J.Chem.Phys., 138, 044319 (2013)

http://dx.doi.org/10.1063/1.4789413

 

109- Structure and electronic spectra of the C6- anion, D.Hammoutene, M.Hochlaf and M.L.Senent, Mon.Not,R.Astron.Soc., 424(2), 1224-1231 (2012)

doi:10.1111/j.1365-2966.2012.21299.x

 

108- Reactivity of anions in Interstellar media: detectability and applications, M.L.Senent and M.Hochlaf, Astrophys.J, 768, 59-64 (2013)

doi:10.1088/0004-637X/768/1/59

 

107- CCSD(T) study of CD3-O-CD3 and CH3-O-CD3 infrared and Raman spectra, M.L.Senent, R.Domínguez-Gómez, M.Carvajal and M. Villa, J.Phys.Chem.A., 116 (25), 6901-6910 (2012)

dx.doi.org/10.1021/jp3030107

 

106- Erratum: Fine and hyperfine excitation of C2H by collisions with He at low temperature, A. Spielfiedel, N. Feautrier, F. Najar, D. Ben Abdallah, F. Dayou, M. L. Senent and F. Lique, Mon.Not.R.Astron.Soc., 429, 923-924 (2013)

doi:10.1093/mnras/sts337

 

105-Fine and hyperfine excitation of C2H by collisions with He at low temperatures, A.Spielfiedel, N.Feautrier, F.Najar, D. Ben Abdallah, F.Dayou, M.L.Senent and F.Lique Mon.Not.R.Astron.Soc., 421(3), 1891-1896 (2012)

doi:10.1111/j.1365-2966.2011.20225.x

 

104- Theoretical study of the Raman and infrared 13C- isotopologues of dimethyl-ether (CH3O13CH3) based on CCSD(T) calculations, M. Carvajal, O.Álvarez-Bajo, M.L.Senent, R.Domínguez-Gómez and M.Villa, J.Mol.Spectrosc., 279, 3-11 (2012)

http://dx.doi.org/10.1016/j.jms.2012.07.018

 

103- CCSD(T)  study of far infrared spectra of  dimethyl-ether, M.Villa, M.L.Senent, R.Domínguez-Gómez, O. Álvarez-Bajo  and M. Carvajal, J.Phys.Chem.A, 115 (46), 13573-13580 (2011) .

dx.doi.org/10.1021/jp2062223

 

102-Theoretical determination of interstellar cyanide abundances: Part I: spectroscopic characterization, M.L.Senent, F.Damouchel and F.Lique, Mon.Not.R.Astron.Soc., 420(2), 1188-1194 (2012)

doi:10.1111/j.1365-2966.2011.20132.x

 

101- Temperature dependence of rotational excitation rate coefficients of C2H- in collision with He, F.Dumouchel, A.Spielfieldel, M.L.Senent and N.Feautrier,  Chem.Phys.Lett., 533, 6-9 (2012)

http://dx.doi.org/10.1016/j.cplett.2012.03.006

 

100- Explicitly correlated treatment of H2NSi and H2SiN radicals: Electronic structure calculations and rovibrational spectra, D. Lauvergnat, M.L.Senent, L. Jutier, M. Hochlaf, J.Chem.Phys., 135 (7), 074301 (2011).

DOI:10.1063/1.3624563

 

99- Ab initio spectroscopic studies of non-rigid molecules: an application to acetic acid, M.L.Senent, J.Math.Chem., 49, 1424-1435 (2011).

DOI 10.1007/s10910-011-9836-1

 

98- Collisional excitation of SO2 in cold molecular clouds, J.Cernicharo, A.Spiefieldel, C.Balança, F.Dayou, M.L.Senent, N.Feautrier, A.Faure, L.Cressiot-Vincent and L.Wiesenfeld and J.R.Pardo, Astron&Astrophys, 531, A103 (2011)

DOI: 10.1051/0004-6361/201016216

 

97- Large amplitude vibrations of Urea in gas phase, N.Inostroza and M.L.Senent Chem.Phys.Lett., 524, 25-31 (2012).

DOI:10.1016/j.cplett.2011.12.045

 

96- Ab initio characterization of C4, C4H and C4H-, M.L.Senent  and M.Hochlaf, Astrophys. J. , 708, 1452-1458 (2010).

DOI:10.1088/0004-637X/708/2/1452

 

95- A 5D potential-energy surface for SO2-H2 collisions, cross sections and rate coefficients for excitation by para-H2 at low temperature, A.Spielfiedel, M.L.Senent, F.Dayou, C.Balanca, L.Cressiot-Vincent, A.Faure, L.Wiesenfeld, and N.Feautrier J.Chem.Phys., 103, 014305 (2009).

DOI: 10.1063/1.3158357

 

94- CCSD(T) study of the far-infrared spectrum of ethyl-methyl-ether isotopic varieties, M.L.Senent, R. Ruiz, M.Villa, and R.Domínguez-Gómez, Chem.Phys., 368, 87-92 (2010).

DOI:10.1016/j.chemphys.2009.12.025

 

93- Ab initio characterization of C6, H.Massó and M.L.Senent, J.Phys.Chem.A, 113, 12404-12410 (2009).

DOI: 10.1021/jp902083c

 

92- Ab initio characterization of the C4Si, M.L.Senent, R.Dominguez-Gomez, Chem.Phys.Lett., 501, 25-29 (2010).

DOI:10.1016/j.cplett.2010.10.061

 

91- Theoretical investigations of the cyanogen anion, M.Nsangou, M.L.Senent and M.Hochlaf, Chem.Phys., 355, 164-168 (2009).

 

90- H2NSi radical: structures, isomerisation pathways and electronic states characterisation, M.Hochlaf, G.Chambaud and M.L.Senent, Mol.Phys., 108(10), 1277-1284 (2010).

DOI: 10.1080/00268971003660163

 

89- On the numerical determination of Dunham’s coefficients. An application to X1å+HCl isotopomers, N. Inostroza, R.Letelier and M.L.Senent,  J.Mol.Struct. (TEOCHEM), 947(1-3), 40-44 (2010).

DOI:10.1016/j.theochem.2010.01.037

 

88- Ab initio characterization of the C3SiH- anion, N.Inostroza and M.L.Senent , J.Chem.Phys. , 133, 184107 (2010).

DOI:10.1063/1.3491264

 

87- Ethane internal rotation vibrational Hamiltonian, D. R. Olguín, M. Villa, M. L. Senent, M. A. Mora-

Delgado, J. Mex. Chem. Soc. 52(1), 98-102 (2008).

 

86- CCSD(T) study of the far-infrared spectrum of ethyl methyl ether, M.L.Senent , R.Ruiz, R.Dominguez-Gómez and M.Villa, J.Chem.Phys. 130 (6), 064101 (2009).

DOI: 10.1063/1.3073895

 

85- On the Variational Solution of the Coupled Breathing Rotation-Vibration of a Spherical Top Molecule, N.Inostroza, J.R.Letelier and M.L.Senent J.Math.Chem., 45 (4), 1055-1059 (2009).

DOI 10.1007/s10910-008-9392-5

 

84- Ab initio characterization of the linear SiC3 isomers”, N.Inostroza,  M.Hochlaf, M.L. Senent and R.Letelier, Astronomy & Astrophysics, 486 (3), 1047-1052 (2008).

DOI: 10.1051/0004-6361:200809556

 

83- Low temperature rate constants for rotational excitations and de-excitations of C3 (1S) by collisions with He (1S), D. Ben Abdallah, K.Hammami, F.Najar, N.Jaidane, Z.Ben Lakhdar, M.L.Senent, C.Chambaud and M.Hochlaf, Astrophys.J, 686, 379-383 (2008).

 

82- Molecules as Diagnostic Tools in the Interstellar Medium, A.Spielfiedel, N.Feautrier, C.Balanca, F.Dayou, F.Lique and M.L.Senent, Mol.Phys., 105 (9), 1263-1269 (2007).

 

81- Electronic structure and spectroscopy of MgO2+ cation, O.Yazidi, A. Ben Houria and Z.Ben Lakhdar, M.L.Senent and M.Hochlaf, Chem.Phys., 348, 215-226 (2008).

 

80- Theoretical ro-vibrational spectrum of CF+, N. Inostroza, J. R. Letelier, P. Fuentealba and M.L.Senent, Spectrochim. Acta A, 71, 798-802 (2008).

 

79-Ab initio characterization of the C5, H. Massó, V. Veryazov, P.-Å. Malmqvist, B.O. Roos and M.L.Senent, J.Chem.Phys., 127 (15), 154318 (2007)

DOI: 10.1063/1.2759206

 

78- Anharmonic spectroscopic study of the ground electronic state of various C4 radical isotopomers, M.L.Senent H. Massó and M.Hochlaf, Astrophys.J, 670, 1510-1517 (2007).

 

77- ZPVE correction to the FIR Spectrum to the propanal isotopomers, M.Villa, M.L.Senent and R.Dominguez-Gómez , Chem.Phys.Lett., 436, 15-18 (2007).

 

76- Rotationally inelastic collisions of SO (X3 -) with H2: potential energy surface and first results with para-H2, F.Lique, M.L.Senent, A.Spielfiedel and N.Feautrier, J. Chem. Phys. 126, 164312 (2007)

DOI: 10.1063/1.2723733

 

75- Structural NMR and ab initio Study of Salicylhydroxamic and p-Hydroxybenzohydroxamic acids: Evidence for an Extended Aggregation, B.García, F.Secco, S.Ibeas, A. Muñoz, F. J. Hoyuelos, J.M. Leal, M.L. Senent and M.Venturini J.Org.Chem., 72 (21), 7832-7840 (2007).

 

74- Electronic structure calculations on the C4 cluster, H.Masso, M.L.Senent, P. Rosmus and M.Hochlaf, J.Chem.Phys., 124, 234304 (2006).

DOI: 10.1063/1.2187972

 

73- Ab initio study of the rotational-torsional spectrum of methyl format, M.L.Senent, M.Villa, F.J.Meléndez and R. Domínguez-Gómez, Astrophys.J, 627, 567-576 (2005).

 

72- Thermodynamic and kinetic of the Nickel II- Salicylhydroxamic Acid system. Phenol rotation induced by metal ion binding, B.García, S.Gonzalez, F.J.Hoyuelos, S.Ibeas, J.M.Leal, M.L.Senent , T.Biver, F.Secco, and M.Venturini, Inorg.Chem., 46, 3680-3687 (2007).

 

71- A simple variational-numerical approach to the ro-vibrational spectrum of diatomic molecules. An application to CH+, J.R. Letelier and M.L.Senent, Spectrochimica Acta A, 65, 1030-1034 (2006).

 

70- Ab initio torsional potential and transition frequencies of acetaldehyde, A.G.Császár, V.Szalay and M.L.Senent, J.Chem.Phys., 120 (3), 1203-1207 (2004).

DOI: 10.1063/1.1633260

 

69- A new unidentified far-infrared band in NGC 7027, J.R.Goicoechea, J.Cernicharo, H.Massó and M.L.Senent, Astrophys.J., 609, 225-230 (2004).

 

68- Ab initio comparative study of the solvent effect of water and acetone on the acetohydroxamic acid anions, N.Mora-Diez, M.L.Senent and B.García Chem.Phys., 324 (2-3), 350-358 (2006).

 

67- Conformations, Protonation Sites, and Metal Complexation of Benzohidroxamic Acid. A Theoretical and Experimental Study, B.García, S.Ibeas, J.M. Leal, F.Secco, M.Venturini, M.L. Senent, A. Niño and C. Muñoz-Caro, Inorg.Chem., 44 (8), 2908-2919 (2005).

 

66- Theoretical study of the effect of hydrogen-bonding on the stability and vibrational spectrum of isolated 2,2,2-trifluoroethanol and its molecular complexes, M.L. Senent, A. Niño and C. Muñoz-Caro, Y.G. Smeyers and  R. Domínguez-Gómez and J.M.Orza, J.Phys.Chem., 106 (46), 10673-10680 (2002).

 

65- Symmetry analysis of internal rotation, V.Szalay, A.G.Császár and M.L.Senent, J.Chem.Phys., 117 (14), 6489-6492 (2002).

DOI: 10.1063/1.1506156

 

64- Etudes structurelles ab initio et de QSAR de certains dérivés de l'Ibuprofen comme possibles agents anti-inflammatoires" par L. Bounaim, M. Villa, N.J. Smeyers, M.L. Senent, A. Ezzamarty et Y.G. Smeyers, F.C.T.L., XXVIII (1-4), 89-98 (2000).

 

63- Ab initio comparative study of the structure and properties of h2-porphin and h2-phthalocyanine. The electronic absorption spectra, H.Cortina, M.L.Senent and Y.G.Smeyers, J.Phys.Chem.A, 107 (42), 8968-8974 (2003).

 

62- Theoretical structural and QSAR studies of some arylpropionic acids as anti-inflammatory agents. An overview., Y.G.Smeyers, M.L.Senent and M.Villa, "Biological application of the Quantum Chemistry", Ed.C.Kubli-Garfias, ISBN:81-7736-151-1, p1-15 (2004).

 

61- Ab initio study of the far infrared spectrum of glycine, M.L.Senent, M.Villa, A.Fernández-Clavero and R.Domínguez-Gómez, Int.J.Quant.Chem., 104, 551-561 (2005).

 

60- Ab initio determination of the torsional spectrum of glycolaldehyde, M.L.Senent, J.Phys.Chem.A. 108(30), 6286-6293 (2004).

 

59- Ab initio structural study of some ibuprofene derivatives as possible anti-inflammatory agents, M.Villa, L.Bounaim, N.J. Smeyers, M.L.Senent, A.Ezamarty and Y.G.Smeyers, Int.J.Quant.Chem., 97 (4), 883-888 (2004).

 

58- An ab initio structural study of some derivatives of ibuprofen as possible anti-inflammatory agents, M.Villa, N.J.Smeyers, M.L.Senent and Y.G.Smeyers, J.Mol.Struct. (THEOCHEM), 537, 265-269 (2001)

56- Ab initio determination of the torsional spectra of acetic acid, M.L.Senent, Mol.Phys, 99 (15), 1311-1321 (2001).

 

57- The vibrations of benzene, studied by MULTIMODE, M.L.Senent, P.Palmieri, S.Carter and N.C.Handy, Chem.Phys.Lett., 354 (1/2), 1-8 (2002).

 

55- The Möller-Plesset perturbation theory applied to the determination of non-rigid molecule vibrational levels, M.L.Senent and R.Domínguez-Gómez, Chem.Phys.Lett., 351 (3/4), 251-258 (2002).

 

54- Deprotonation sites of the acetohydroxamic acid isomers. A theoretical and experimental study, M.L.Senent, A.Niño, C.Muñoz-Caro, S.Ibeas, B.García, J.M.Leal, F.Secco and M.Venturini, J.Org.Chem.,68 (17), 6535-6542 (2003).

 

53- Intramolecular basis set superposition error, M.L.Senent and S.Wilson, Int.J.Quant.Chem., 82, 282-292 (2001).

 

52- Excited states of hydrogen peroxide: an overview, P.K.Mukherjee, M.L.Senent and Y.G.Smeyers, "New Trends in Quantum Systems in Chemistry and Physics", J. Maruani.et al (Eds.) 2, 65-83 (2000).

 

51- Theoretical investigation of the torsional spectra of 2,2,2-tri-fluoroethanol, M.L.Senent, A.Perez Ortega,  A. Arroyo and R.Domínguez-Gómez, Chemical Physics, 266, 19-32 (2001).

 

50- Ab initio harmonic analysis of large amplitud motions of ethanol dimers, M.L.Senent, Y.G.Smeyers and R.Domínguez-Gómez, "New Trends in Quantum Systems in Chemistry and Physics", J. Maruani et al. (Eds.), 1, 359-374 (2001).

 

49- Suitability of different levels of theory for modelling of hydroxamic acids, A.Niño, C.Muñoz-Caro and M.L.Senent, J.Mol.Struct. (TEOCHEM), 530, 291-300 (2000).

 

48- Theoretical and experimental study of the acetohydroxamic acid protonation. The solvent effect, B.García, S.Ibeas, J.M.Leal, M.L.Senent and A.Niño, C.Muñoz-Caro, Chem. Eur. J., 6/14, 2644-2652 (2000).

 

47- Ab initio determination of the far infrared spectra of some isotopic varieties of ethanol, M.L.Senent, Y.G.Smeyers, R.Dominguez-Gómez and M.Villa, J.Chem.Phys. 112 (13), 5809-5819 (2000).

 

46- Variational evaluation of the HSSH FIR transitions. The anomalous K-Doubling, M.L.Senent, Y.G.Smeyers, R.Dominguez-Gómez, A.Arroyo and S.Fernández-Herrera, J.Mol.Spectrosc., 203, 209-215 (2000).

 

45- Ab initio determination of the roto-torsional energy levels oh hydrogen peroxide, M.L.Senent, S.Fernández-Herrera and Y.G.Smeyers, Spectrochimica Acta Part. A, 56A, 1457-1468 (2000).

 

44-The effect of the pesudopotential on the torsional energy levels of hydrogen peroxide and deuterium peroxide, M.L.Senent and Y.G.Smeyers, "Quantum Systems in Chemistry and Physics", A.Hernández-Laguna et al. (Eds.), 1, 401-413 (2000).

 

43- The HPHF calculations for the spectroscopic parameters, frequencies and intensities of the torsional mode of the lowest lying singlet excited states of hydrogen peroxide, P.K.Mukherjee, M.L.Senent  and Y.G.Smeyers, Int.J.Quant.Chem., 75, 631-636 (1999).

 

42- MRCI study of the lowest electronic states of O2H+, M.L.Senent, Mol.Phys., 96 (11), 1587-1594 (1999).

 

41- An MP2 four dimensional potential energy surface of dimethylamine, M.L.Senent and Y.G.Smeyers, J.Mol.Struct. (TEOCHEM), 464, 137-143 (1999).

 

40- Determination of the kinetic energy parameters of non-rigid molecules, M.L.Senent, Chem.Phys.lett., 296, 299-306 (1998).

 

39- Modeling of protonation processes in acetohydroxamic acid, C.Muñoz-Caro, A.Niño, M.L.Senent, J.M.Leal and S.Ibeas, J.Org.Chem, 65, 405-410 (2000).

 

38-Low-temperature specific heat and glassy dynamics of a polymorphic molecular solid, C.Talón, M.A.Ramos, S.Vieira, G.J.Cuello, F.J.Bermejo, A.Criado, M.L.Senent, S.M.Bennington, H.E.Fischer and H.Schober, Phys.Rev.B 58 (2), 745-755 (1998).

 

37- An ab initio potential energy surface for the n4 vibrational mode of hydrogen peroxide, S.Fernández-Herrera and M.L.Senent, J.Mol.Structure, 470, 313-319 (1998).

 

36- Ab initio determination of the torsion-wagging and wagging-bending far infrared band structure spectra of methylamine, Y.G.Smeyers, M.Villa and M.L.Senent, J.Mol.Spectros. 191, 232-238 (1998).

 

35- Magnetic Dynamics in Condensed Oxygen: Recent Experimental Results, F.J. Bermejo, A. de Bernabé, J.L. Martinez, M.L.Senent, G.J.Cuello, S.F.J.Cox, F.Dunstetter and F.Trouw, J.Low Temp.Phys., 111 (3/4), 287-302 (1998).

 

34- An ab initio three-dimensional torsion-torsion-wagging analysis of the Far Infrared Spectra of dimethyl-amine, M.L.Senent, Y.G.Smeyers  and D.C.Moule, Mol.Phys. 94 (6), 949-961 (1998).

 

33- Ab initio determination of the effect of the C-C bond enlargement, the H wagging and the COH bending on the torsional frequencies of glyoxal, M.L.Senent, S.Fernández-Herrera, R. Domínguez-Gómez, Y.G.Smeyers, and M.Villa, Mol.Phys., 96 (5), 775-783 (1999).

 

32- Ab initio determination of band structures of vibrational spectra of non-rigid molecules. Applications to methylamine and dimethylamine, Y.G.Smeyers, M.L.Senent and M.Villa, Advances in Quantum Chemistry, 32, 145-166 (1999).

 

31- Theoretical study of the effect of the torsional anharmonicity on the termodynamic properties of methanol, C.Muñoz-Caro, A.Niño and M.L.Senent, Chem.Phys.Lett., 273, 135-140 (1997).

 

30- Ab initio determination of the roto-torsional energy levels of trans-1,3-butadiene, M.L.Senent, J.Mol.Spectrosc., 191, 265-275 (1998).

 

29- An ab initio three-dimensional torsion-torsion-bending analysis of the Far Infrared Spectra of dimethyl-amine, M.L.Senent, Y.G.Smeyers  and D.C.Moule, J.Phys.Chem.,102 (34), 6730-6736 (1998).

 

28- Theoretical study of protonated aluminium oxide, G.Chambaud, P.Rosmus, M.L.Senent and P.Palmieri, Mol.Phys., 92 (3), 399-408 (1997).

 

27- Ab initio Potential Energy Surface and Internal Torsional-Wagging States of Hydroxylamine, J.Makarewicz, M.Kreglewski and M.L.Senent, J.Mol.Spectrosc., 186, 162-170 (1997).

 

26- Ab initio theoretical study of the methyl and phosphine torsion modes in ethylphosphine, Y.Smeyers, F.J.Meléndez and M.L.Senent, J.Chem.Phys., 106 (5), 1709-1717 (1997).

 

25- A comparative analysis of the QCISD(T) and the CCSD(T) potential energy surfaces for the  torsional mode of glyoxal (COH-COH), M.L.Senent, S.Fernández-Herrera and F.J.Meléndez, J.Mol.Struct. (Teochem), 433, 161-168 (1998).

 

24- The effect of the C=O wagging coordinate relaxation on the far infrared torsional spectrum of acetone, F.J.Meléndez, M.L.Senent, Y.G.Smeyers, Chem.Phys.Lett., 265, 649-652 (1997).

 

23- Importance of rings on the microscopic properties of a strong glass, R.Fernández-Perea, F.J. Bermejo and M.L. Senent, Phys.Rev.B., 54 (9), 6039-6042 (1996).

 

22- The effect of the halogen substitution on the torsion of the central bond of glyoxal (COH-COH), M.L.Senent,  J.Mol.Struct.,406, 51-59 (1997).

 

21- Ab initio calculation of the anharmonic force and dipole fields of Nitrogen Trifluoride, R.Tarroni, P.Palmieri, M.L.Senent and A.Willetts, Chem.Phys.Lett., 257, 23-30 (1996).

 

20- Ro-vibrational energy levels of HCP, C.Puzzarini, R.Tarroni, P.Palmieri, J.Demaison and M.L.Senent, J.Chem.Phys., 105 (8), 3132-3141 (1996).

 

19- Muon Spin Relaxation in Condensed Oxygen, F.J.Bermejo, S.F.Cook, F.J.Mompeán, M.García-Hernandez, M.L.Senent and J.L.Martinez, Phil.Mag.B, 73 (4), 689-705 (1996).

 

18- The symmetry of the inversion-bending Hamiltonian of dimethyl-amine, M.L.Senent Int.J.Quant.Chem, 58(4), 399-406 (1996)

 

17- Ab initio calculations and analysis of the torsional spectra of dimethyl‑amine and dimethyl‑phosphine, M.L.Senent and Y.G.Smeyers, J.Chem.Phys., 105 (7), 2789-2797 (1996).

 

16- Vibrational analysis of the dichloro‑glyoxal, M.L. Senent and S.Senent, An.Quim., 91 (3-4), 193-199 (1995).

 

15- Ab initio determination of the torsional and wagging FIR spectrum of methylamine, Y.G.Smeyers, M.Villa and M.L.Senent, J.Mol.Spectrosc., 177, 66-73 (1996).

 

14- An ab initio determination of the bending-torsion-torsion spectrum of dimethyl‑ether, (CH3)2O and (CD3)2O, M.L. Senent, D.C. Moule and Y.G. Smeyers, J.Chem.Phys., 102 (15), 5952-5959 (1995).

 

13- An ab initio potential function for the n13 vibrational mode of 1,3‑butadiene. M.L.Senent, J.Mol.Struct., 351, 197-204 (1995).

 

12- The torsional spectra of the isomeric butenes. An ab‑initio study of the Far Infrared and Raman spectra of trans‑2‑butene, cis‑2‑butene and 2‑methyl‑propene (isobutene), M.L.Senent, D.C.Moule and Y.G.Smeyers, J.Mol.Struct., 372, 257-266 (1995).

 

11- An ab initio and spectroscopic study of dimethyl‑ether. An analysis of the FIR and Raman spectra. M.L. Senent, D.C. Moule and Y.G.Smeyers, Can.J.Phys., 73, 425-431 (1995).

 

10- Evidence for muon binding in condensed oxygen, M.L.Senent and F.J.Bermejo, Hyperfine Interactions, 96, 153-166 (1995).

 

9- Ab initio and spectroscopic study of Dimethyl Sulfide. An analysis of the torsional spectra of (CH3)2-S and (CD3)2-S, M.L.Senent, D.C. Moule and Y.G. Smeyers, J.Phys.Chem., 99 (20), 7970-7976 (1995)

 

8- A theoretical study of the methyl torsional modes in the a3Au(T1) ¬ X1Ag(S0), n®p* spectrum in biacetyl, M.L. Senent, D.C.Moule, Y.G. Smeyers, and F.J. Peñalver, Chem.Phys.Lett., 221, 512-517 (1994)

 

7- A theoretical spectroscopic study of the A11Au(S1)  ® X1Ag(S0) n®p* transition in biacetyl. M.L.Senent, D.C. Moule, Y.G.Smeyers, A. Toro‑Labbé and F.J. Peñalver, J.Mol.Spectrosc., 164, 66-78 (1994)

 

6- A comparative analysis of the internal rotation in acetone and transdimethylglyoxal. Application to the fundamental frequencies and torsional modes, Y.G. Smeyers, M.L. Senent, F.J. Peñalver and D.C. Moule, J.Mol.Struct., (Theochem), 287, 117-125 (1993).

 

5- Estudio dinámico y espectroscópico del trans‑dimetilglioxal: un estudio del estado fundamental y de los primeros estados excitados. Y.G. Smeyers, M.L. Senent, J.Peñalver, A.Toro‑Labbé and D.C. Moule, F.C.T.L., 19, 99‑112 (1991).

 

4- An ab initio structural and spectroscopic study of acetone. An analysis of the far infrared torsional spectra of acetone ‑h6 and ‑d6, Y.G. Smeyers, M.L. Senent, V. Botella and D.C. Moule, J.Chem.Phys, 98 (4), 2754-2767 (1993).

3- An analysis of the methyl rotation dynamics in the S0 (X1A1 ) and T1 (a3A2 ) states of thioacetone, (CH3)2‑CS and (CD3)2‑CS from pyrolysis jet spectra, D.C. Moule, Y.G.Smeyers,M.L. Senent, D.J. Clouthier, J. Karolczak and R. Judge, J.Chem.Phys, 95 (5), 3137-3146 (1991).

 

2- Dynamical and spectroscopic studies of non‑rigid molecules: application to the thioacetone electronic ground state. Y.G. Smeyers, M.L. Senent and D.C. Moule, Int. J. Quant. Chem., Sanibel Symposium, 24, 835-841 (1990).

 

1-First‑row diatomic hydrides using a UHF formalism, I. Martin and M.L. Senent, An.Quim., 78(3), 301-305 (1982).

 

PUBLICACIONES (DIVULGACIÓN)

 

 

1 ‑ Comentario y traducción del artículo "Unicum opticae, catoptricae et dioptricae principium", de G. W. Leibniz. M.L.Senent, "Estudios sobre Historia de la Ciencia y de la Técnica II", Junta de Castilla y León, Valladolid 1988.

 

2 ‑ Historia de la Física en el siglo XIX. La Química Física en el siglo XIX. S. Senent y M.L.Senent, Real Academia de las Ciencias Exactas, Físicas y Naturales, Madrid 1987.

 

3- Molecular Spectroscopy from ab initio methods. M.L.Senent, Flying High. News from the CINECA's ICARUS project, 5, 1995.

 

4- H-Al-O+ and 1,3-butadiene. M.L.Senent, Flying High. News from the CINECA's ICARUS project, 8, 1997.

 

5 - Desarrollo científico: relación Primer Mundo/Tercer Mundo, M.L.Senent, L.Saldaña, G.Vallés, S.González-Alonso, P.Fernández-Prieto, A.Beffort y H.García Cebrian, Solidaridad y ciudadanía, Foro UNIV 99, pag.55-60.

 

6- Molecular Spectroscopy from abinitio calculations: benzene and ethanol. M.L.Senent, Flying High. News from the CINECA's ICARUS project, 16-17, 1999.

 

7 - Africa: Desarrollo Cultural y Científico al final del segundo milenio (UNIV 2000: 2000 años de historia ¿y ahora qué?), M.L.Senent, A.B. Galaz, A.Beffort Ballesteros, S.González Alonso, B.Ochoa Calero, E.Mohedano Vicente, E.García Cebrián, H.Gatzos y R.Senent Domínguez, Dos mil años ¿de qué?, Foro UNIV 2000, pag. 8-15.

 

8 - Ab initio calculations for molecular astrophysics: characterization of the C4 radical and determination of potential energy surfaces for collisional problems, M. L.Senent y H. Masso (CINECA)

 

9- El laboratorio de Química Cuántica del edificio Rockefeller, M.L.Senent (Instituto Rocasolano 75 Aniversario)

 

10- El rol fundamental de los métodos ab initio en Astroquímica, M.L.Senent, An.Quim., 2009, 105(4), 257-264

 

BOOKS (Chapters)

1-Theoretical characterization of SiHNx systems, M.L.Senent, Science and Supercomputing at CINECA, pag 161; Minus project (special issue); ISBN 88-86037-13-09 (2003) http://www.cineca.it/pubblicazioni/scienza_scalc/0072.PDF

 

2-Molecules as a diagnostic tool in astrophysics, N.Feautrier, J.Cernicharo, F.Daniel, M.L.Dubernet, F.Lique, M.L.Senent and A.Spielfiedel, Hunt for Molecules (in honor of Pierre Encrenaz), F.Combes, F.Casoli, L.Falgarone and L.Pagani, Eds. (2006)

 

3-Rotational excitation of the SO2 by collisions with H2; a collaborative work, N.Feautrier, C.Balança, F.Dayou , A.Spiefieldel, L.Cressiot-Vincent, A.Faure, L.Wiesenfeld and M.L.Senent, EPJ Web of Conferences, 34, 033003 (2012); http://dx.doi.org/10.1051/epjconf/20123403003

From Quantum Chemistry to Astrophysics: a tribute to Pierre Valiron”, A.Faure, C.Ceccarelli & L.Wiesenfeld Ed (2011)

 

 

EDITED BOOKS

 

1-Book of Abstracts of the “Advanced workshop on theoretical and computational methods for molecular spectroscopy and collisions: application to astrophysical and atmospherical relevant systems”, 2009. Ed. C.Muñoz-Caro, A.Niño, M.L.Senent and M.Hochlaf; ISB: 978-84-692-1661-3; Legal deposit: CR-317-2009