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Browsing by Subject Hydrolysis

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Showing results 1 to 12 of 12
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Jan-20241Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-949.707973523; Eh
Login required23-Jan-20241_cisKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-949.703477724; Eh
Login required23-Jan-20242Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-989.014124461; Eh
Login required23-Jan-20242_cisKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-989.008977280; Eh
Login required23-Jan-20243Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-1106.89932704; Eh
Login required23-Jan-20243_cisKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-1106.89447780; Eh
Login required23-Jan-20244Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-553.603271176; Eh
Login required23-Jan-20245Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-592.909047460; Eh
Login required23-Jan-20246Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-710.793888173; Eh
Login required23-Jan-2024p_nitrophenylacetateKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-664.386752225; Eh
Login required23-Jan-2024Piv_Pro_OBgKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-1380.68555207; Eh
Login required23-Jan-2024Piv_Pro_OHKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-671.511766748; Eh
Showing results 1 to 12 of 12