14 Commits

Author	SHA1	Message	Date
EnzoMonino	608547fc85	inputs and outputs H2	2021-02-26 17:59:00 +01:00
EnzoMonino	4fe6a6451b	figures	2021-02-25 16:22:41 +01:00
EnzoMonino	b3dc95c768	inputs and outputs CAM-B3LYP for H2	2021-02-23 13:27:26 +01:00
EnzoMonino	226a37acb8	H2 BHHLYP results	2021-01-20 17:13:20 +01:00
EnzoMonino	223a1a011b	H2 B3LYP results	2021-01-20 16:19:16 +01:00
EnzoMonino	f1d05e6ac3	H2 BLYP results	2021-01-20 15:54:32 +01:00
EnzoMonino	c1f56bede3	H2 TD-BLYP results	2021-01-20 14:53:30 +01:00
EnzoMonino	ecb8acd30d	H2 b3lyp results	2021-01-20 08:12:46 +01:00
EnzoMonino	e534bb8b0e	H2 TDDFT Gaussian results	2021-01-19 16:33:50 +01:00
EnzoMonino	a9c5953927	remove tddft qchem results	2021-01-19 14:37:10 +01:00
EnzoMonino	00cf2ba88b	Notebook + Manuscript	2021-01-12 10:02:57 +01:00
EnzoMonino	7e2bca66bb	H2 TDDFT output Gaussian	2021-01-11 08:42:30 +01:00
EnzoMonino	777e4c57c7	output	2021-01-06 16:05:07 +01:00
EnzoMonino	f1209227e7	rearrangement	2021-01-06 15:47:42 +01:00