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Manuela Merchán

Veröffentlichungen von Manuela Merchán zu Merchan, Manuela. ->
weitere Veröffentlichungen von Manuela Merchán:
A theoretical determination of the electronic spectrum of formaldehyde (1995)
A theoretical determination of the electronic spectrum of formaldehyde (1995)
Ab initio study on the low-lying excited states of retinal (1997)
The internal rotational barrier of biphenyl studied with multiconfigurational second-order perturbation theory (CASPT2) (1995)
The internal rotational barrier of biphenyl studied with multiconfigurational second-order perturbation theory (CASPT2) (1995)
Theoretical Study of the Internal Charge Transfer in Aminobenzonitriles (1995)
A Theoretical Study of the Electronic Spectra of the Biphenyl Cation and Anion (1995)
Theoretical study of the electronic spectrum of all-trans-1,3,5,7-octatetraene (1993)
Theoretical study of the electronic spectrum of p-benzoquinone (1999)
A theoretical study of the electronic spectrum of bithiophene (1995)
A restricted active space (RAS) SCF study of the lifetime of theA 3Π state of OH+ (1991)
A theoretical determination of the dissociation energy of the nitric oxide dimer (1994)
A theoretical determination of the electronic spectrum of Methylenecyclopropene (1996)
Theoretical and Experimental Determination of the Electronic Spectrum of Norbornadiene (1994)
Theoretical approach to the molecular conformation of nonfused biheterocycles. Bifurans and furylpyrroles (1987)
Veröffentlichungen zu Merchan, Manuela.
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1
Merchán, Manuela, Roos, Björn O. A theoretical determination of the electronic spectrum of formaldehyde
in: Theoretica chimica acta , ISSN 0040-5744, Vol. 92 (4. 1995), p. 227-239
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1995
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2
Merchán, Manuela, Roos, Björn O. A theoretical determination of the electronic spectrum of formaldehyde
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 92 (4. 1995), p. 227-239
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1995
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3
Merchán, Manuela., González-Luque, Remedios. Ab initio study on the low-lying excited states of retinal
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 106, No. 3 (1997), p. 1112-1122
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1997
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4
Rubio, Mercedes, Merchán, Manuela, ... The internal rotational barrier of biphenyl studied with multiconfigurational second-order perturbation theory (CASPT2)
in: Theoretica chimica acta , ISSN 0040-5744, Vol. 91 (1/2. 1995), p. 17-29
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1995
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5
Rubio, Mercedes, Merchán, Manuela, ... The internal rotational barrier of biphenyl studied with multiconfigurational second-order perturbation theory (CASPT2)
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 91 (1/2. 1995), p. 17-29
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1995
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6
Serrano-Andres, Luis. Theoretical Study of the Internal Charge Transfer in Aminobenzonitriles
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 11 (1995), p. 3189-3204
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1995
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7
Rubio, Mercedes. A Theoretical Study of the Electronic Spectra of the Biphenyl Cation and Anion
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 41 (1995), p. 14980-14987
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1995
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8
Serrano-Andres, Luis. Theoretical study of the electronic spectrum of all-trans-1,3,5,7-octatetraene
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 37 (1993), p. 9360-9368
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1993
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9
Pou-Amérigo, Rosendo., Merchán, Manuela., ... Theoretical study of the electronic spectrum of p-benzoquinone
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 110, No. 19 (1999), p. 9536-9546
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1999
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10
Rubio, Mercedes., Merchán, Manuela., ... A theoretical study of the electronic spectrum of bithiophene
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 102, No. 9 (1995), p. 3580-3586
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1995
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11
Merchán, Manuela, Malmqvist, Per-Åke, ... A restricted active space (RAS) SCF study of the lifetime of theA 3Π state of OH+
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 79 (2. 1991), p. 81-92
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1991
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12
González-Luque, Remedios, Merchán, Manuela, ... A theoretical determination of the dissociation energy of the nitric oxide dimer
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 88 (6. 1994), p. 425-435
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1994
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13
Merchán, Manuela, González-Luque, Remedios, ... A theoretical determination of the electronic spectrum of Methylenecyclopropene
in: Theoretica chimica acta , ISSN 0040-5744, Vol. 94 (3. 1996), p. 143-154
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1996
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14
Roos, Bjoern O.. Theoretical and Experimental Determination of the Electronic Spectrum of Norbornadiene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 13 (1994), p. 5927-5936
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1994
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15
Orti, Enrique. Theoretical approach to the molecular conformation of nonfused biheterocycles. Bifurans and furylpyrroles
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 91, No. 3 (1987), p. 545-551
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1987
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16
Merchán, Manuela., Nebot-Gil, Ignacio., ... A CI study of the CuCO and CuCO+ complexes
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 87, No. 3 (1987), p. 1690-1700
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1987
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17
Serrano-Andrés, Luis., Merchán, Manuela., ... Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 4 (1993), p. 3151-3162
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1993
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18
Merchán, Manuela., Roos, Björn O.., ... A combined theoretical and experimental determination of the electronic spectrum of acetone
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 104, No. 5 (1996), p. 1791-1804
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1996
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19
González-Luque, Remedios, Nebot-Gil, Ignacio, ... An ab initio CI study on the rotational barrier of the allyl anion
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 69 (2. 1986), p. 101-106
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1986
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20
González-Luque, Remedios, Merchán, Manuela, ... On the theoretical determination of the electron affinity of ozone
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 86 (6. 1993), p. 467-476
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1993