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Showing results 1 to 20 of 170  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required25-Sep-202510_anti_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7505762; Eh
Login required25-Sep-202510_iso_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7573817; Eh
Login required25-Sep-202510_syn_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7512247; Eh
Login required25-Sep-202511_iso_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7262939; Eh
Login required25-Sep-202511_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7294543; Eh
Login required25-Sep-202512_iso_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7476948; Eh
Login required25-Sep-202512_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7005936; Eh
Login required25-Sep-202513_iso_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7381804; Eh
Login required25-Sep-202513_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7363985; Eh
Login required25-Sep-202514_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3127.9145131; Eh
Login required25-Sep-202515_iso_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.6919172; Eh
Login required25-Sep-202515_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.6871115; Eh
Login required25-Sep-202516_iso_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7478127; Eh
Login required25-Sep-202516_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3552.7483616; Eh
Login required25-Sep-20251bFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-424.7795838; Eh
thumbnail.jpeg28-Apr-20202Garcia Melchor, MaxGaussian; 09; AM64L-G09RevA.02Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.55268078; Eh
Login required25-Sep-20252_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-2896.8263486; Eh
Login required25-Sep-20253_iso_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3321.6430473; Eh
Login required25-Sep-20253_iso_TFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XD; UM06L; UM06; UPBE1PBEDEF2SVP DEF2TZVPP-3321.6503693; Eh
Login required25-Sep-20253_SFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XD; RM06L; RM06; RPBE1PBEDEF2SVP DEF2TZVPP-3321.6437404; Eh
Showing results 1 to 20 of 170  next >