ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
10
11
12
13
14
15
16
...
8150
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Oct-2022	amisulbrom_CONF24_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4548.37983766; Eh
	18-Jan-2023	cafenstrole_CONF76_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1465.94238507; Eh
	8-Oct-2022	ametoctradin_CONF1017_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.51092237; Eh
	7-Oct-2022	ametoctradin_CONF182_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54686642; Eh
	15-Dec-2022	piperalin_CONF30_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1748.07666701; Eh
	7-Oct-2022	ametoctradin_CONF1718_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54375955; Eh
	22-Sep-2023	Phorate_CONF630_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54365808; Eh
	17-Jan-2023	eptc_CONF44_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-882.67493860; Eh
	7-Oct-2022	ametoctradin_CONF286_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54588209; Eh
	15-Dec-2022	piperalin_CONF284_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1748.07889112; Eh

Results 121-130 of 81499 (Search time: 0.008 seconds).