Unveiling the electronic and structural consequences of removing two electrons from BH
Hernández-Juárez, Gerardo, Vásquez-Espinal, Alejandro, Murillo, Fernando, Quintal, Alan, Ortíz-Chi, Filiberto, Zarate, Ximena, Barroso, Jorge, Merino, Gabriel
Published in Dalton transactions : an international journal of inorganic chemistry (28.11.2023)
Published in Dalton transactions : an international journal of inorganic chemistry (28.11.2023)
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Journal Article
Unveiling the electronic and structural consequences of removing two electrons from B 12 H 12 2
Hernández-Juárez, Gerardo, Vásquez-Espinal, Alejandro, Murillo, Fernando, Quintal, Alan, Ortíz-Chi, Filiberto, Zarate, Ximena, Barroso, Jorge, Merino, Gabriel
Published in Dalton transactions : an international journal of inorganic chemistry (28.11.2023)
Published in Dalton transactions : an international journal of inorganic chemistry (28.11.2023)
Get full text
Journal Article
Unveiling the electronic and structural consequences of removing two electrons from B12H122
Hernández-Juárez, Gerardo, Vásquez-Espinal, Alejandro, Murillo, Fernando, Quintal, Alan, Ortíz-Chi, Filiberto, Zarate, Ximena, Barroso, Jorge, Merino, Gabriel
Published in Dalton transactions : an international journal of inorganic chemistry (28.11.2023)
Published in Dalton transactions : an international journal of inorganic chemistry (28.11.2023)
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Journal Article
SurfinPES: Performing automated analysis of activation strain, energy decomposition, and reaction force
Quintal, Alan, Dzib, Eugenia, Murillo, Fernando, Ortíz‐Chi, Filiberto, Fernández, Israel, Merino, Gabriel
Published in International journal of quantum chemistry (05.01.2024)
Published in International journal of quantum chemistry (05.01.2024)
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Journal Article
Automating the IRC‐Analysis within Eyringpy
Quintal, Alan, Dzib, Eugenia, Ortíz‐Chi, Filiberto, Jaque, Pablo, Restrepo, Albeiro, Merino, Gabriel
Published in International journal of quantum chemistry (15.08.2021)
Published in International journal of quantum chemistry (15.08.2021)
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Journal Article