|
PUBLICACIONES CIENTÍFICAS |
|
|
168 |
High resolution far-Infrared synchrotron spectroscopy of 2-furfural
conformers, S. Chawananon, M. Goubet,
R. Georges, A. Roucou, I. Hadj Said, M.L. Senent, A. Cuisset and P. Asselin, J.Chem.Phys., 161, 014308 (2024) https://doi.org/10.1063/5.0213834 |
|
167 |
Ab initio study of the large
amplitude motions of methoxy-methanol (CH3-O-CH2OH), D. Missaoui, S. Brahem, F. Najar, O. Yazidi, M. L. Senent, ACS earth and space chemistry, 8, 1236−1245 (2024)
https://doi.org/10.1021/acsearthspacechem.4c00053 |
|
166 |
Theoretical structural and spectroscopic
characterization of peroxyacetic acid (CH3-CO-O-OH).
Study of the Far Infrared
region. S. Brahem, D.
Missaoui, O. Yazidi, M. L. Senent PCCP, 26, 12600 - 12609 (2024) DOI: 10.1039/D3CP05783F |
|
165 |
Theoretical spectroscopic study of isopropyl alcohol (CH3-CHOH-CH3),
M.
Salah, K. Marachi, N. Komiha,
and M.L. Senent. Astrophys. J., 963, 143 -154 (2024) https://doi.org/10.3847/1538-4357/ad1fef |
|
164 |
The role of water in the adsorption of Nitro-organics pollutants on
Activated Carbon, C. Adjal, V. Timón,
N. Guechtouli, R. Boussessi, D. Hammoutene, and
M.L. Senent, J.Phys.Chem.A, 127(139), 8146–8158
(2023) 10.1021/acs.jpca.3c03877 |
|
163 |
Theoretical investigations of propyl-cyanide formation in gas phase
and on ice mantles, B. Kerkeni, V. Gámez, G. Ouerfelli, M.L.
Senent and N. Feautrier, MNRAS, 552(4),
5254-5266 (2023); https://doi.org/10.1093/mnras/stad1197 http://arxiv.org/abs/2301.12297 |
|
162 |
Theoretical Spectroscopic
Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH3COCHO) and
Methyl Vinyl Ketone (CH3COCH= CH2), I. Toumia, S. Dalbouha, M. Mogren Al-Mogren, O. Yazidia, N. Jaïdane, M. Carvajal, and M.L.
Senent, J.Phys.Chem.A. 126 (40) 7230-7241 (2022); https://doi.org/10.1021/acs.jpca.2c05653 |
|
161 |
Collision excitation of
c-C3H-(X1A1) by He, M. Mogren Al-Mogren, D. Ben Abdallah, Sarah Alharbi,
and M.L.Senent, J.Chem.Phys., 156, 184302 (2022) https://doi.org/10.1063/5.0089458 |
|
160 |
Theoretical spectroscopic
study of acetyl (CH3CO), vinoxy (CH2COH), and 1-methylvinoxy (CH3COCH2) radicals.
Barrierless formation processes of acetone in the gas phase, H. El Hadki, V. Gámez, S. Dalbouha, K. Marakchi, O.K. Kabbaj, N. Komiha, M.
Carvajal, and M.L. Senent. Open
Research Europe, 1, 116 (2022) |
|
159 |
Ab initio study of
the large amplitude motions of various monosubstituted
isotopologues of methyl amine (CH3-NH2). M.Al-Mogren, M.L.Senent; Frontiers in Astronomy
And Space Sciences, “Investigation into the
Astrophysical Molecular Complexity: Observational, Theoretical and
Experimental Aspects” Frontiers
in chemistry, 9, 751203-11 pages (2021)
|
|
158 |
Large amplitude motions of pyruvic acid (CH3-CO-COOH),
M.L. Senent and S. Dalbouha Molecules, "Terahertz
Spectroscopy and Dynamics of Low-Frequency Modes Involving Large Amplitude
Molecular Motions”, Molecules, MDPI,
26, 4269-4282 (2021) https://doi.org/10.3390/molecules26144269 |
|
157 |
Rotational and Torsional
Properties of Various Monosubstituted Isotopologues of Acetone (CH3-CO-CH3)
from Explicitly Correlated Ab Initio Methods, S. Dalbouha,
M. Mogren Al-Mogren, and
M.L. Senent, ACS Earth & Space
Chemistry, 5, 890–899 (2021) https://dx.doi.org/10.1021/acsearthspacechem.1c00010 |
|
156 |
The formation of C3O3H6
structural isomers in the gas phase through barrierless pathways. Formation
and spectroscopic characterization of methoxy acetic acid, V. Gámez and M.L.Senent, Astrophys.J, 913, 21-37 (2021) https://doi.org/10.3847/1538-4357/abecdf |
|
155 |
Computational analysis of the far Infrared spectral region of various
deuterated varieties of Ethylene Glycol, R. Boussesi
and M.L. Senent, PCCP, 22, 23785-23794 (2020) DOI: 10.1039/D0CP03315D |
|
154 |
155-The
torsion-torsion-bending spectrum of S-methyl thioformate,
M.L. Senent, J.Mol.Struct.,
1208,127856-127862 (2020); |
|
153 |
The formation of
interstellar organic molecules: H2C3O. A DFT and ELF
theoretical study, H. Elhadki, Z. Lakbaibi, M. Salah,
K. Marakchi, O. Keltoum Kabbaj, M.L. Senent, N.Komiha, Mediterranean Journal of Chemistry, 9(3), 175-189 (2019) |
|
152 |
Understanding propyl-cyanide and its isomers
formation: ab initio study of the Spectroscopy and reaction kinetics, B. Kerkeni, V. Gámez, M. L. Senent and N. Feautrier, PCCP, 21, 23375 - 23384 (2019); DOI:
10.1039/C9CP04365A. |
|
151 |
Competitive gas phase reactions
for the production of isomers C2O2H4. Spectroscopic constants of methyl
format, V. Gámez, M.L.Senent, M.Carvajal
and A.Galano J.Phys.Chem.A.,123,
9658-9668 (2019); http://dx.doi.org/10.1021/acs.jpca.9b07270 |
|
150 |
Ab initio spectroscopic
characterization of the radical CH3-O-CH2 at low
temperatures, O.Yazidi,
M.L.Senent, V.Gámez, M.Carvajal
and M.Mogren Al-Mogren, J.Chem.Phys. 150(19), 194102 (2019); DOI: 10.1063/1.5095857 |
|
149 |
Site-specific hydrogen-atom
elimination in photoexcited ethyl radical, D. V. Chicharro,S.M. Poullain, A.Zanchet,A.Bouallagui,A. García-Vela,M.
L.Senent,L. Rubio-Lago, and L.Bañares,
Chemical Science, 10, 6494 – 6502 (2019); DOI: 10.1039/C9SC02140J |
|
148 |
New spectral characterization
of dimethyl ether isotopologues CH3OCH3 and 13CH3OCH3
in the THz Region, J.M.Fernández, G.Tejeda, M.Carvajal and
M.L.Senent, The Astrophysical Journal
Supplement Series, 241, 13-21 (2019);
DOI: 10.3847/1538-4365/ab041e |
|
147 |
Inelastic
rate coefficients for collisions of C4H− with para-H2
(j = 0) at low temperatures, M.L.Senent, F.Dayou,
F.Dummouchel, C. Balança,
and N.Feautrier, MNRAS, 486, 422-429 (2019); doi:10.1093/mnras/stz865 |
|
146 |
Theoretical characterization of C3H and C5H and their anions,
S. C. Bennedja, D. Hammoutène, and
M.L. Senent, The Astrophysical Journal, 871, 255-265 (2019) https://doi.org/10.3847/1538-4357/aafa76 |
|
145 |
DFT studies of single and multiple molecular adsorption of CH4,
SF6 and H2O in Zeolitic- Imidazolate Framework (ZIF4
and ZIF6), N. E.H. Bensiradj,
V.Timón, R. Boussessi, S.Dalbouha and M.L.Senent. Inorg.Chim.Acta 490, 272-281 (2019) |
|
144 |
Large amplitude vibrations
of acetyl isocyanate, methyl cyanoformate, and
acetyl cyanate. S.Dalbouha and M.L. Senent, Physical Chemistry Chemical Physics, 21, 3597-3605 (2019); DOI:
10.1039/C8CP04490B |
|
143 |
Dynamic of
Molecular Systems, A. García Vela, L.Bañarés and M.L.Senent, European J. of Physics D, 72, 97-98 (2018); DOI: 10.1140/epjd/e2018-90097-7 |
|
142 |
Internal rotation of OH group in 4-hydroxy-2-butynenitrile studied by
millimeter-wave spectroscopy, R.A. Motiyenko, L. Margulès, M.L. Senent and J.C. Guillemin, J.Phys.Chem. A, 122(12), 3163-3169 (2018) ; DOI:
10.1021/acs.jpca.7b12051 |
|
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 (2018). 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 C6N, C6N−, and C6N+,
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) |
|
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) |
|
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, PCCP, 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) |
|
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 |
|
114 |
On the use of explicitly
correlated treatment methods for the generation of accurate polyatomic – He/H2
interaction potential energy surfaces: The case of C3 – He complex
and generalization, M.Al-Mogren, O.Denis-Alpizar, D. Ben Abdallah, T.Stoecklin,
P.Halvick, M.L.Senent and Majdi
Hochlaf, J.Chem.Phys., 141, 044308 (2014); http://dx.doi.org/10.1063/1.4890729 |
|
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) |
|
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). 10.1016/j.chemphys.2008.11.025 |
|
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). doi: 10.1086/587979 |
|
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). DOI: 10.1086/522485 |
|
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). https://doi.org/10.1021/jo0709798 |
|
74 |
Electronic structure
calculations on the C4 cluster, H. Massó,
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). DOI:
10.1086/430201 |
|
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, Spectrochim.Acta
A, 65, 1030-1034 (2006). https://doi.org/10.1016/j.saa.2006.01.033 |
|
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). DOI: 10.1086/421061 |
|
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). https://doi.org/10.1016/j.chemphys.2005.10.039 |
|
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). DOI: 10.1021/ic049438g |
|
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). DOI: 10.1021/jp026542f |
|
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). DOI: 10.1021/jp0347320 |
|
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). DOI:
10.1002/qua.20629 |
|
60 |
Ab initio determination of
the torsional spectrum of glycolaldehyde, M.L.Senent,
J.Phys.Chem.A. 108(30), 6286-6293 (2004).
https://doi.org/10.1021/jp0489121 |
|
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). https://doi.org/10.1002/qua.10797 |
|
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). https://doi.org/10.1016/S0166-1280(00)00683-7 |
|
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). |
|
56 |
Ab initio
determination of the torsional spectra of acetic acid, M.L.Senent, Mol.Phys,
99 (15), 1311-1321 (2001). https://doi.org/10.1080/00268970110048374 |
|
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). https://doi.org/10.1016/S0009-2614(01)01350-1 |
|
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). https://doi.org/10.1021/jo0341564 |
|
53 |
Intramolecular
basis set superposition error, M.L.Senent and S.Wilson, Int.J.Quant.Chem.,
82, 282-292 (2001). https://doi.org/10.1002/qua.1030 |
|
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). https://doi.org/10.1002/1521-3765(20000717)6:14<2644::AID-CHEM2644>3.0.CO;2-D |
|
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).
DOI: 10.1063/1.481155 |
|
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). https://doi.org/10.1006/jmsp.2000.8177 |
|
45 |
Ab initio
determination of the roto-torsional energy levels oh hydrogen peroxide,
M.L.Senent, S.Fernández-Herrera and Y.G.Smeyers, Spectrochim.Acta Part. A,
56A, 1457-1468 (2000). https://doi.org/10.1016/S1386-1425(99)00267-X |
|
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). doi: 10.1002/(SICI)1097-461X |
|
42 |
MRCI
study of the lowest electronic states of O2H+, M.L.Senent, Mol.Phys., 96 (11), 1587-1594 (1999). https://doi.org/10.1080/00268979909483102 |
|
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). https://doi.org/10.1016/S0009-2614(98)01052-5 |
|
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). https://doi.org/10.1103/PhysRevB.58.745 |
|
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). https://doi.org/10.1006/jmsp.1998.7626 |
|
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). doi:10.1023/A:1022223300619 |
|
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). DOI:
10.1080/002689798167520 |
|
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). https://doi.org/10.1016/S0009-2614(97)00557-5 |
|
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). https://doi.org/10.1021/jp973145+ |
|
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). https://doi.org/10.1006/jmsp.1997.7425 |
|
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). https://doi.org/10.1016/S0009-2614(97)01495-4 |
|
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). https://doi.org/10.1063/1.472181 |
|
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) https://doi.org/10.1002/(SICI)1097-461X(1996)58:4<399::AID-QUA9>3.0.CO;2-T |
|
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). doi: 10.1063/1.472141 |
|
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). https://doi.org/10.1016/0022-2860(94)08519-N |
|
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). DOI: 10.1139/p95-061 |
|
10 |
Evidence
for muon binding in condensed oxygen, M.L.Senent and F.J.Bermejo, Hyperfine
Interactions, 96, 153-166 (1995). doi:10.1007/BF02066279 |
|
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). https://doi.org/10.1021/j100020a020 |
|
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). https://doi.org/10.1006/jmsp.1994.1056 |
|
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). https://doi.org/10.1063/1.464157 |
|
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). https://doi.org/10.1063/1.460871 |
|
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). https://doi.org/10.1002/qua.560382481 |
|
1 |
First‑row diatomic hydrides using a UHF formalism, I. Martin and M.L.
Senent, An.Quim., 78(3), 301-305 (1982). |
|
PUBLICACIONES DE 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 |
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LIBROS Y CAPÍTULOS DE LIBROS |
|
EDICIÓN DE LIBROS |
|
Editora Invitada
de: The European Physical Journal D, Topical Issue: “Dynamics of Molecular Systems (MOLEC 2016)”. Editado en 2018 https://epjd.epj.org/component/toc/?task=topic&id=765 |
|
The Journal of Physical
Chemistry A virtual special issue
“Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters: Theory,
Experiment, and Applications” (2016) http://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b12135 |
|
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 |
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CAPÍTULOS DE LIBROS |
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Rotational excitations of
small carbon chains by collisions with He in the ISM, A. Spiefieldel,
F. Dayou, D. Dumouchel,
N. Feautrier, F. Lique
and M.L. Senent, European Conference on
Laboratory Astrophysics – ECLA, C. Stehlé, C. Joblin and L. d’Hendecourt (eds), EAS Publications Series, 58, 271-274 (2012) DOI: 10.1051/eas/1258043 |
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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) |
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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) |
|
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 |