ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
5
6
7
8
9
10
11
...
64
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Sep-2020	/Orca TS4Bbpy	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1704.93172787; Eh
	11-Sep-2020	/Orca TS4Cbpy	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1704.91440307; Eh
	19-Nov-2020	17	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2TZVP DEF2TZVP/W06	-1518.97020041; Eh
	19-Nov-2020	17	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1518.50483480; Eh
	11-Sep-2020	/Gaussian TS4BbpyEXP	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
	11-Sep-2020	/Gaussian TS3A	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
	11-Sep-2020	/Gaussian TS1A	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
	11-Sep-2020	/Gaussian H2	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
	11-Sep-2020	/Gaussian 13	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
	11-Sep-2020	/Gaussian 5	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-

Results 71-80 of 636 (Search time: 0.028 seconds).