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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2024CargillepoxoniumAlCl2AltConf_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-2058.20567258; Eh
thumbnail.jpeg11-Apr-2024CargillfinalprodaAlCl2_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-2058.23255224; Eh
thumbnail.jpeg11-Apr-2024CargillfinalprodbAlCl2_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-2058.23311711; Eh
thumbnail.jpeg11-Apr-2024CargillepoxoniumAlCl2_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-2058.20502056; Eh
thumbnail.jpeg11-Apr-2024CargillfinalprodbAlCl2altconf_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-2058.23102406; Eh
thumbnail.jpeg11-Apr-2024CargillReactantAlCl2_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-2058.20097131; Eh
thumbnail.jpeg11-Apr-2024CargillReactantH_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-855.621599134; Eh
thumbnail.jpeg11-Apr-2024CargillIntbH_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-855.622082803; Eh
thumbnail.jpeg11-Apr-2024CargillIntaH_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-855.621262329; Eh
thumbnail.jpeg11-Apr-2024CargillTSbHRedo_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-855.602579890; Eh
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