Browsing by Subject N-doped carbon

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Showing results 21 to 40 of 169 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Apr-2019G32_G89_OOH-104Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.70234949; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-12Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.73147070; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-13Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.73927012; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-16Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.70221529; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-21Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.74255764; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-24Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.73163300; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-33Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.71185762; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-41Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.74796977; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-44Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.73221294; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-52Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.73210566; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-61Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.72847639; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-81Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.70002676; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-92Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.69133122; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH-93Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.73162019; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH104Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-2023.57176063; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH12Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-2023.61188306; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH13Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-2023.60942669; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH16Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-2023.57750723; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH21Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-2023.61188321; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OOH24Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-2023.55994806; Eh