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Complete ligand loss in electron ionization of the weakly bound organometallic tungsten hexacarbonyl dimer.

Physical chemistry chemical physics : PCCP

Neustetter M, Mauracher A, Limão-Vieira P, Denifl S.
PMID: 27006205
Phys Chem Chem Phys. 2016 Apr 21;18(15):9893-6. doi: 10.1039/c6cp00558f. Epub 2016 Mar 23.

We observed the bare W2(+) metal cation upon electron ionization of the weakly bound W(CO)6 dimer. This metal cation can be only observed due to the fast conversion of the weak cluster bond into a strong covalent bond between...

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Neustetter M, Mauracher A, Limão-Vieira P, et al. Complete ligand loss in electron ionization of the weakly bound organometallic tungsten hexacarbonyl dimer. Phys Chem Chem Phys. 2016;18(15):9893-6doi: 10.1039/c6cp00558f.
Neustetter, M., Mauracher, A., Limão-Vieira, P., & Denifl, S. (2016). Complete ligand loss in electron ionization of the weakly bound organometallic tungsten hexacarbonyl dimer. Physical chemistry chemical physics : PCCP, 18(15), 9893-6. https://doi.org/10.1039/c6cp00558f
Neustetter, Michael, et al. "Complete ligand loss in electron ionization of the weakly bound organometallic tungsten hexacarbonyl dimer." Physical chemistry chemical physics : PCCP vol. 18,15 (2016): 9893-6. doi: https://doi.org/10.1039/c6cp00558f
Neustetter M, Mauracher A, Limão-Vieira P, Denifl S. Complete ligand loss in electron ionization of the weakly bound organometallic tungsten hexacarbonyl dimer. Phys Chem Chem Phys. 2016 Apr 21;18(15):9893-6. doi: 10.1039/c6cp00558f. Epub 2016 Mar 23. PMID: 27006205.
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Comprehensive investigation of the electronic excitation of W(CO).

Beilstein journal of nanotechnology

Mendes M, Regeta K, Ferreira da Silva F, Jones NC, Hoffmann SV, García G, Daniel C, Limão-Vieira P.
PMID: 29114447
Beilstein J Nanotechnol. 2017 Oct 23;8:2208-2218. doi: 10.3762/bjnano.8.220. eCollection 2017.

High-resolution vacuum ultraviolet photoabsorption measurements in the wavelength range of 115-320 nm (10.8-3.9 eV) have been performed together with comprehensive relativistic time-dependent density functional calculations (TDDFT) on the low-lying excited sates of tungsten hexacarbonyl, W(CO)

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Mendes M, Regeta K, Ferreira da Silva F, et al. Comprehensive investigation of the electronic excitation of W(CO). Beilstein J Nanotechnol. 2017;8:2208-2218doi: 10.3762/bjnano.8.220.
Mendes, M., Regeta, K., Ferreira da Silva, F., Jones, N. C., Hoffmann, S. V., García, G., Daniel, C., & Limão-Vieira, P. (2017). Comprehensive investigation of the electronic excitation of W(CO). Beilstein journal of nanotechnology, 82208-2218. https://doi.org/10.3762/bjnano.8.220
Mendes, Mónica, et al. "Comprehensive investigation of the electronic excitation of W(CO)." Beilstein journal of nanotechnology vol. 8 (2017): 2208-2218. doi: https://doi.org/10.3762/bjnano.8.220
Mendes M, Regeta K, Ferreira da Silva F, Jones NC, Hoffmann SV, García G, Daniel C, Limão-Vieira P. Comprehensive investigation of the electronic excitation of W(CO). Beilstein J Nanotechnol. 2017 Oct 23;8:2208-2218. doi: 10.3762/bjnano.8.220. eCollection 2017. PMID: 29114447; PMCID: PMC5669226.
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Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF.

The Journal of chemical physics

Hoshino M, Duflot D, Limão-Vieira P, Ohtomi S, Tanaka H.
PMID: 28411616
J Chem Phys. 2017 Apr 14;146(14):144306. doi: 10.1063/1.4979299.

Electron energy loss spectra of carbon tetrafluoride, silicon tetrafluoride, and germanium tetrafluoride molecules (CF

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Hoshino M, Duflot D, Limão-Vieira P, et al. Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF. J Chem Phys. 2017;146(14):144306doi: 10.1063/1.4979299.
Hoshino, M., Duflot, D., Limão-Vieira, P., Ohtomi, S., & Tanaka, H. (2017). Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF. The Journal of chemical physics, 146(14), 144306. https://doi.org/10.1063/1.4979299
Hoshino, M, et al. "Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF." The Journal of chemical physics vol. 146,14 (2017): 144306. doi: https://doi.org/10.1063/1.4979299
Hoshino M, Duflot D, Limão-Vieira P, Ohtomi S, Tanaka H. Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF. J Chem Phys. 2017 Apr 14;146(14):144306. doi: 10.1063/1.4979299. PMID: 28411616.
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Experimental and theoretical analysis for total electron scattering cross sections of benzene.

The Journal of chemical physics

Costa F, Álvarez L, Lozano AI, Blanco F, Oller JC, Muñoz A, Barbosa AS, Bettega MHF, Ferreira da Silva F, Limão-Vieira P, White RD, Brunger MJ, García G.
PMID: 31470731
J Chem Phys. 2019 Aug 28;151(8):084310. doi: 10.1063/1.5116076.

Measurements of the total electron scattering cross sections (TCSs) from benzene, in the impact energy range of 1-1000 eV, are presented here by combining two different experimental systems. The first utilizes a magnetically confined electron transmission beam for the...

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Costa F, Álvarez L, Lozano AI, et al. Experimental and theoretical analysis for total electron scattering cross sections of benzene. J Chem Phys. 2019;151(8):084310doi: 10.1063/1.5116076.
Costa, F., Álvarez, L., Lozano, A. I., Blanco, F., Oller, J. C., Muñoz, A., Barbosa, A. S., Bettega, M. H. F., Ferreira da Silva, F., Limão-Vieira, P., White, R. D., Brunger, M. J., & García, G. (2019). Experimental and theoretical analysis for total electron scattering cross sections of benzene. The Journal of chemical physics, 151(8), 084310. https://doi.org/10.1063/1.5116076
Costa, F, et al. "Experimental and theoretical analysis for total electron scattering cross sections of benzene." The Journal of chemical physics vol. 151,8 (2019): 084310. doi: https://doi.org/10.1063/1.5116076
Costa F, Álvarez L, Lozano AI, Blanco F, Oller JC, Muñoz A, Barbosa AS, Bettega MHF, Ferreira da Silva F, Limão-Vieira P, White RD, Brunger MJ, García G. Experimental and theoretical analysis for total electron scattering cross sections of benzene. J Chem Phys. 2019 Aug 28;151(8):084310. doi: 10.1063/1.5116076. PMID: 31470731.
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Electron transfer driven decomposition of adenine and selected analogs as probed by experimental and theoretical methods.

The Journal of chemical physics

Cunha T, Mendes M, Ferreira da Silva F, Eden S, García G, Bacchus-Montabonel MC, Limão-Vieira P.
PMID: 29626890
J Chem Phys. 2018 Apr 07;148(13):134301. doi: 10.1063/1.5021888.

We report on a combined experimental and theoretical study of electron-transfer-induced decomposition of adenine (Ad) and a selection of analog molecules in collisions with potassium (K) atoms. Time-of-flight negative ion mass spectra have been obtained in a wide collision...

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Cunha T, Mendes M, Ferreira da Silva F, et al. Electron transfer driven decomposition of adenine and selected analogs as probed by experimental and theoretical methods. J Chem Phys. 2018;148(13):134301doi: 10.1063/1.5021888.
Cunha, T., Mendes, M., Ferreira da Silva, F., Eden, S., García, G., Bacchus-Montabonel, M. C., & Limão-Vieira, P. (2018). Electron transfer driven decomposition of adenine and selected analogs as probed by experimental and theoretical methods. The Journal of chemical physics, 148(13), 134301. https://doi.org/10.1063/1.5021888
Cunha, T, et al. "Electron transfer driven decomposition of adenine and selected analogs as probed by experimental and theoretical methods." The Journal of chemical physics vol. 148,13 (2018): 134301. doi: https://doi.org/10.1063/1.5021888
Cunha T, Mendes M, Ferreira da Silva F, Eden S, García G, Bacchus-Montabonel MC, Limão-Vieira P. Electron transfer driven decomposition of adenine and selected analogs as probed by experimental and theoretical methods. J Chem Phys. 2018 Apr 07;148(13):134301. doi: 10.1063/1.5021888. PMID: 29626890.
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UV/Vis.

Journal of quantitative spectroscopy & radiative transfer

Noelle A, Vandaele AC, Martin-Torres J, Yuan C, Rajasekhar BN, Fahr A, Hartmann GK, Lary D, Lee YP, Limão-Vieira P, Locht R, McNeill K, Orlando JJ, Salama F, Wayne RP.
PMID: 34121770
J Quant Spectrosc Radiat Transf. 2020 Sep 01;253. doi: 10.1016/j.jqsrt.2020.107056.

The "science-softCon UV/Vis

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Noelle A, Vandaele AC, Martin-Torres J, et al. UV/Vis. J Quant Spectrosc Radiat Transf. 2020;253doi: 10.1016/j.jqsrt.2020.107056.
Noelle, A., Vandaele, A. C., Martin-Torres, J., Yuan, C., Rajasekhar, B. N., Fahr, A., Hartmann, G. K., Lary, D., Lee, Y. P., Limão-Vieira, P., Locht, R., McNeill, K., Orlando, J. J., Salama, F., & Wayne, R. P. (2020). UV/Vis. Journal of quantitative spectroscopy & radiative transfer, 253. https://doi.org/10.1016/j.jqsrt.2020.107056
Noelle, Andreas, et al. "UV/Vis." Journal of quantitative spectroscopy & radiative transfer vol. 253 (2020). doi: https://doi.org/10.1016/j.jqsrt.2020.107056
Noelle A, Vandaele AC, Martin-Torres J, Yuan C, Rajasekhar BN, Fahr A, Hartmann GK, Lary D, Lee YP, Limão-Vieira P, Locht R, McNeill K, Orlando JJ, Salama F, Wayne RP. UV/Vis. J Quant Spectrosc Radiat Transf. 2020 Sep 01;253. doi: 10.1016/j.jqsrt.2020.107056. PMID: 34121770; PMCID: PMC8193824.
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Electronic structure and reactivity of tirapazamine as a radiosensitizer.

Journal of molecular modeling

Romero J, Maihom T, Limão-Vieira P, Probst M.
PMID: 34021836
J Mol Model. 2021 May 22;27(6):177. doi: 10.1007/s00894-021-04771-8.

Tirapazamine (TP) has been shown to enhance the cytotoxic effects of ionizing radiation in hypoxic cells, thus making it a candidate for a radiosensitizer. This selective behavior is often directly linked to the abundance of O

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Romero J, Maihom T, Limão-Vieira P, et al. Electronic structure and reactivity of tirapazamine as a radiosensitizer. J Mol Model. 2021;27(6):177doi: 10.1007/s00894-021-04771-8.
Romero, J., Maihom, T., Limão-Vieira, P., & Probst, M. (2021). Electronic structure and reactivity of tirapazamine as a radiosensitizer. Journal of molecular modeling, 27(6), 177. https://doi.org/10.1007/s00894-021-04771-8
Romero, José, et al. "Electronic structure and reactivity of tirapazamine as a radiosensitizer." Journal of molecular modeling vol. 27,6 (2021): 177. doi: https://doi.org/10.1007/s00894-021-04771-8
Romero J, Maihom T, Limão-Vieira P, Probst M. Electronic structure and reactivity of tirapazamine as a radiosensitizer. J Mol Model. 2021 May 22;27(6):177. doi: 10.1007/s00894-021-04771-8. PMID: 34021836; PMCID: PMC8140980.
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Anionic states of C.

Physical chemistry chemical physics : PCCP

Kumar S, Kilich T, Łabuda M, García G, Limão-Vieira P.
PMID: 34889910
Phys Chem Chem Phys. 2021 Dec 22;24(1):366-374. doi: 10.1039/d1cp04500h.

This is the first comprehensive investigation on the anionic species formed during collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C

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Kumar S, Kilich T, Łabuda M, et al. Anionic states of C. Phys Chem Chem Phys. 2021;24(1):366-374doi: 10.1039/d1cp04500h.
Kumar, S., Kilich, T., Łabuda, M., García, G., & Limão-Vieira, P. (2021). Anionic states of C. Physical chemistry chemical physics : PCCP, 24(1), 366-374. https://doi.org/10.1039/d1cp04500h
Kumar, S, et al. "Anionic states of C." Physical chemistry chemical physics : PCCP vol. 24,1 (2021): 366-374. doi: https://doi.org/10.1039/d1cp04500h
Kumar S, Kilich T, Łabuda M, García G, Limão-Vieira P. Anionic states of C. Phys Chem Chem Phys. 2021 Dec 22;24(1):366-374. doi: 10.1039/d1cp04500h. PMID: 34889910.
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Electron scattering cross sections from nitrobenzene in the energy range 0.4-1000 eV: the role of dipole interactions in measurements and calculations.

Physical chemistry chemical physics : PCCP

Álvarez L, Costa F, Lozano AI, Oller JC, Muñoz A, Blanco F, Limão-Vieira P, White RD, Brunger MJ, García G.
PMID: 32530024
Phys Chem Chem Phys. 2020 Jun 24;22(24):13505-13515. doi: 10.1039/d0cp02039g.

Absolute total electron scattering cross sections (TCS) for nitrobenzene molecules with impact energies from 0.4 to 1000 eV have been measured by means of two different electron-transmission experimental arrangements. For the lower energies (0.4-250 eV) a magnetically confined electron...

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Álvarez L, Costa F, Lozano AI, et al. Electron scattering cross sections from nitrobenzene in the energy range 0.4-1000 eV: the role of dipole interactions in measurements and calculations. Phys Chem Chem Phys. 2020;22(24):13505-13515doi: 10.1039/d0cp02039g.
Álvarez, L., Costa, F., Lozano, A. I., Oller, J. C., Muñoz, A., Blanco, F., Limão-Vieira, P., White, R. D., Brunger, M. J., & García, G. (2020). Electron scattering cross sections from nitrobenzene in the energy range 0.4-1000 eV: the role of dipole interactions in measurements and calculations. Physical chemistry chemical physics : PCCP, 22(24), 13505-13515. https://doi.org/10.1039/d0cp02039g
Álvarez, L, et al. "Electron scattering cross sections from nitrobenzene in the energy range 0.4-1000 eV: the role of dipole interactions in measurements and calculations." Physical chemistry chemical physics : PCCP vol. 22,24 (2020): 13505-13515. doi: https://doi.org/10.1039/d0cp02039g
Álvarez L, Costa F, Lozano AI, Oller JC, Muñoz A, Blanco F, Limão-Vieira P, White RD, Brunger MJ, García G. Electron scattering cross sections from nitrobenzene in the energy range 0.4-1000 eV: the role of dipole interactions in measurements and calculations. Phys Chem Chem Phys. 2020 Jun 24;22(24):13505-13515. doi: 10.1039/d0cp02039g. PMID: 32530024.
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Selective bond breaking of halothane induced by electron transfer in potassium collisions.

Physical chemistry chemical physics : PCCP

Lozano AI, Maioli LS, Pamplona B, Romero J, Mendes M, Ferreira da Silva F, Kossoski F, Probst M, Süβ D, Bettega MHF, García G, Limão-Vieira P.
PMID: 33073277
Phys Chem Chem Phys. 2020 Nov 07;22(41):23837-23846. doi: 10.1039/d0cp02570d. Epub 2020 Oct 19.

We present novel experimental results of negative ion formation of halothane (C

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Lozano AI, Maioli LS, Pamplona B, et al. Selective bond breaking of halothane induced by electron transfer in potassium collisions. Phys Chem Chem Phys. 2020;22(41):23837-23846doi: 10.1039/d0cp02570d.
Lozano, A. I., Maioli, L. S., Pamplona, B., Romero, J., Mendes, M., Ferreira da Silva, F., Kossoski, F., Probst, M., Süβ, D., Bettega, M. H. F., García, G., & Limão-Vieira, P. (2020). Selective bond breaking of halothane induced by electron transfer in potassium collisions. Physical chemistry chemical physics : PCCP, 22(41), 23837-23846. https://doi.org/10.1039/d0cp02570d
Lozano, A I, et al. "Selective bond breaking of halothane induced by electron transfer in potassium collisions." Physical chemistry chemical physics : PCCP vol. 22,41 (2020): 23837-23846. doi: https://doi.org/10.1039/d0cp02570d
Lozano AI, Maioli LS, Pamplona B, Romero J, Mendes M, Ferreira da Silva F, Kossoski F, Probst M, Süβ D, Bettega MHF, García G, Limão-Vieira P. Selective bond breaking of halothane induced by electron transfer in potassium collisions. Phys Chem Chem Phys. 2020 Nov 07;22(41):23837-23846. doi: 10.1039/d0cp02570d. Epub 2020 Oct 19. PMID: 33073277.
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Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections.

The Journal of chemical physics

Barbosa AS, Varella MT, Sanchez Sd, Ameixa J, Blanco F, García G, Limão-Vieira P, Ferreira da Silva F, Bettega MH.
PMID: 27586926
J Chem Phys. 2016 Aug 28;145(8):084311. doi: 10.1063/1.4961649.

In this work, we report theoretical and experimental cross sections for elastic scattering of electrons by chlorobenzene (ClB). The theoretical integral and differential cross sections (DCSs) were obtained with the Schwinger multichannel method implemented with pseudopotentials (SMCPP) and the...

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Barbosa AS, Varella MT, Sanchez Sd, et al. Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections. J Chem Phys. 2016;145(8):084311doi: 10.1063/1.4961649.
Barbosa, A. S., Varella, M. T., Sanchez, S. d., Ameixa, J., Blanco, F., García, G., Limão-Vieira, P., Ferreira da Silva, F., & Bettega, M. H. (2016). Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections. The Journal of chemical physics, 145(8), 084311. https://doi.org/10.1063/1.4961649
Barbosa, Alessandra Souza, et al. "Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections." The Journal of chemical physics vol. 145,8 (2016): 084311. doi: https://doi.org/10.1063/1.4961649
Barbosa AS, Varella MT, Sanchez Sd, Ameixa J, Blanco F, García G, Limão-Vieira P, Ferreira da Silva F, Bettega MH. Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections. J Chem Phys. 2016 Aug 28;145(8):084311. doi: 10.1063/1.4961649. PMID: 27586926.
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Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations.

The journal of physical chemistry. A

Limão-Vieira P, Anzai K, Kato H, Hoshino M, Ferreira da Silva F, Duflot D, Mogi D, Tanioka T, Tanaka H.
PMID: 23074974
J Phys Chem A. 2012 Nov 01;116(43):10529-38. doi: 10.1021/jp307599y. Epub 2012 Oct 17.

We report on the first measurements of the electron impact electronic excitation cross sections for C(4)F(6) isomers, hexafluoro-1,3-butadiene (1,3-C(4)F(6)), hexafluorocyclobutene (c-C(4)F(6)), and hexafluoro-2-butyne (2-C(4)F(6)), measured at 100 eV, 3° scattering angle, while sweeping the energy loss over the range...

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Limão-Vieira P, Anzai K, Kato H, et al. Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations. J Phys Chem A. 2012;116(43):10529-38doi: 10.1021/jp307599y.
Limão-Vieira, P., Anzai, K., Kato, H., Hoshino, M., Ferreira da Silva, F., Duflot, D., Mogi, D., Tanioka, T., & Tanaka, H. (2012). Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations. The journal of physical chemistry. A, 116(43), 10529-38. https://doi.org/10.1021/jp307599y
Limão-Vieira, P, et al. "Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations." The journal of physical chemistry. A vol. 116,43 (2012): 10529-38. doi: https://doi.org/10.1021/jp307599y
Limão-Vieira P, Anzai K, Kato H, Hoshino M, Ferreira da Silva F, Duflot D, Mogi D, Tanioka T, Tanaka H. Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations. J Phys Chem A. 2012 Nov 01;116(43):10529-38. doi: 10.1021/jp307599y. Epub 2012 Oct 17. PMID: 23074974.
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Showing 1 to 12 of 61 entries