Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

2024-03-27T13:58:02+01:00Tags: , |

Authors: Lozano, Ana I.; Alvarez, Lidia; Garcia-Abenza, Adrian; Guerra, Carlos; Kossoski, Fabris; Rosado, Jaime; Blanco, Francisco; Oller, Juan Carlos; Hasan, Mahmudul; Centurion, Martin; Weber, Thorsten; Slaughter, Daniel S.; Mootheril, Deepthy M.; Dorn, Alexander; Kumar, Sarvesh; Limao-Vieira, Paulo; Colmenares, Rafael; Garcia, Gustavo Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2023/08/01 DOI: 10.3390/ijms241512182 Abstract: In this [...]

The role of dimers in complex forming reactions at low temperature: full dimension potential and dynamics of (H2CO)2+OH reaction

2024-03-27T13:57:29+01:00Tags: , , , |

Authors: del Mazo-Sevillano, Pablo; Aguado, Alfredo; Zanchet, Alexandre; Roncero, Octavio Journal: CHEMPHYSCHEM Publication date: 2023/08/01 DOI: 10.1002/cphc.202300291 Abstract: The (H 2 ${{}_{2}}$ CO) 2 ${{}_{2}}$ +OH and H 2 ${{}_{2}}$ CO-OH+H 2 ${{}_{2}}$ CO reaction dynamics are studied theoretically for temperatures below 300 K. For this purpose, a full dimension potential energy surface is built, [...]

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