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Browsing by Author Cárdenas Acero, Alexander

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Showing results 1 to 20 of 23  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-May-2026CH3OHMartínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-115.80351425439741; Eh
Login required15-May-2026DMCMartínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-343.83357292165476; Eh
Login required15-May-2026GLYMartínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-345.02009947157569; Eh
Login required15-May-2026GLYCMartínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-457.22844334961627; Eh
Login required15-May-2026Glycerolate IonMartínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-344.37140171774092; Eh
Login required15-May-2026GLYDMCMartínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-573.04387614027530; Eh
Login required15-May-2026Methoxide IonMartínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-115.15913054583716; Eh
Login required15-May-2026NHC2Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-924.85260015645349; Eh
Login required15-May-2026NHC3Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1269.88829575807927; Eh
Login required15-May-2026NHC4Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1613.63104850943387; Eh
Login required15-May-2026NHC5Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1613.67023106019928; Eh
Login required15-May-2026NHC6Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1497.91870360860389; Eh
Login required15-May-2026NHC7Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1497.81616533708188; Eh
Login required15-May-2026NHC8Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1497.90091077893840; Eh
Login required15-May-2026RM1Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1153.23004723320196; Eh
Login required15-May-2026RM2Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1382.42376717424986; Eh
Login required15-May-2026RM3Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization MinimumDFTdef2-TZVP; def2/J-1381.89356144234216; Eh
Login required15-May-2026TS1Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-TZVP; def2/J-1613.69287865648448; Eh
Login required15-May-2026TS2Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-TZVP; def2/J-1613.69659654916109; Eh
Login required15-May-2026TS3Martínez-Prieto, Luis Miguel; Baquero, Edwin; Cárdenas Acero, Alexander; Laplaza, Rubén; Blanco, CarolinaOrca; 6.0.0; RELEASEGeometry optimizationDFTdef2-TZVP; def2/J-1613.53908158528407; Eh
Showing results 1 to 20 of 23  next >