ioChem-Find: Search

Search

Results/Page

Sort items by

In order

Item hits:

Title	Author(s)	Program	Method(s)	Basis Set	Energy
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M1	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1444.65288902; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M2	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1444.62456112; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M3	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1099.58027493; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M4	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1099.57755864; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M5	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1451.77543208; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M6	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-2300.64268757; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M7	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1498.43183340; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M8	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1500.11839356; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M9	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-2293.68657832; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M10	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-2293.67764544; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M11	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-2293.67208695; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M12	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1491.42555814; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M13	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1491.41980286; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M14	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1491.41614244; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M15	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1493.12797907; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M16	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1493.12077354; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M17	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1493.11826320; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M18	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1948.58795262; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M19	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1948.57630266; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M20	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1146.34296477; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M21	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1146.33656201; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M22	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1148.04064312; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M23	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GENECP	-1148.03481912; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M24	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1444.5533879; Eh
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M25	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	RPBEPBE	GEN	-1444.5546296; Eh