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Showing results 1 to 20 of 647  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Oct-2024ABADEZIX_PN_NiSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4147.26674261; Eh
Login required24-Oct-2024ABAQOWOR_PN_NiSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4142.40796395; Eh
Login required24-Oct-2024ABESOHIS_PN_NiSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4337.71569074; Eh
Login required24-Oct-2024ABOYOFOP_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4291.50616578; Eh
Login required24-Oct-2024ACAYIWIZ_PN_NiSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4568.69259982; Eh
Login required24-Oct-2024ACUCONAB_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4177.24361888; Eh
Login required24-Oct-2024ACUJUVAQ_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4392.24970548; Eh
Login required24-Oct-2024ACUVADAW_PN_NiSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4081.03490277; Eh
Login required24-Oct-2024ADATOLUP_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4257.07174889; Eh
Login required24-Oct-2024ADEBUCAK_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4253.40273023; Eh
Login required24-Oct-2024ADITUMIG_PN_NiSommer, TimoGaussian; 16; ES64L-G16RevC.01Single point Structure-LANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P)-4106.71628340; Eh
Login required24-Oct-2024ADITUMIG_PN_Ni_contSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4106.72496269; Eh
Login required24-Oct-2024ADIXUDUR_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Single point Structure-LANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P)-4038.49586220; Eh
Login required24-Oct-2024ADIXUDUR_PN_Pd_contSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4038.49662518; Eh
Login required24-Oct-2024ADONOCIZ_PN_NiSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4562.64460187; Eh
Login required24-Oct-2024ADOTECOS_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4185.75499040; Eh
Login required24-Oct-2024ADUQUSOV_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4435.13722665; Eh
Login required24-Oct-2024ADUSAPIW_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4099.86311887; Eh
Login required24-Oct-2024ADUXIBUL_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4581.51699548; Eh
Login required24-Oct-2024AFEBOLUG_PN_PdSommer, TimoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-4269.46080451; Eh
Showing results 1 to 20 of 647  next >