ioChem-BD Browse - Barcelona Supercomputing Center: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Sep-2022	sulfosulfuron_CONF247_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2272.21641806; Eh
10-Feb-2022	oxpoconazole_CONF158_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1513.52075352; Eh
27-Sep-2022	fluoxastrobin_Z_CONF180_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1965.05073871; Eh
7-Oct-2022	meptyldinocap_CONF36_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1261.16184705; Eh
7-Oct-2022	ametoctradin_CONF636_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54557340; Eh
9-Jan-2023	naftifine_CONF74_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-867.67077063; Eh
18-Jan-2023	piperophos_CONF1539_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1968.77534589; Eh
10-Sep-2022	ethoxisulfuron_CONF1228_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1726.38892987; Eh
27-Sep-2022	pyribencarb_CONF20_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1548.19592152; Eh
10-Sep-2022	cyclosulfamuron_CONF42_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1782.73230537; Eh

Results 8111-8120 of 81456 (Search time: 0.012 seconds).