Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Sep-2024/Mec_Figure-S10_S2-triplet s2-singlet-int1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-1217.88318809; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-INT2oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.95062437; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-INT2nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.95801998; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-int1oNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.94918634; Eh
Login required9-Sep-2024/Mec_Figure-S9_S8-triplet s8-singlet-INT1nNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3606.96008761; Eh
Login required9-Sep-2024/Mec_Figure2_S8-F_anion Product_ONuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-1218.00018452; Eh
Login required9-Sep-2024/Sulfure_activation_structures s8_singlet-ringNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3185.33777381; Eh
Login required9-Sep-2024/Mec_Figure2_S8-F_anion f8-int1Nuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3706.87155104; Eh
Login required9-Sep-2024/Mec_Figure2_S8-F_anion f8-int4Nuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-3706.94702285; Eh
Login required9-Sep-2024/Mec_Figure2_S8-F_anion f8-int3Nuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-819.790792677; Eh
Results 1-10 of 14 (Search time: 0.0 seconds).

Discover

Program name