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Showing results 229301 to 229320 of 317914 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Jan-2021	E	Laconsay, Croix	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
4-Apr-2022	E	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-437.897631409; Eh
5-Jul-2023	E	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	DEF2SVP	-7963.61180262; Eh
29-Aug-2023	E	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-4610.58856545; Eh
17-Nov-2021	E001	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-1041.89126931; Eh
17-Nov-2021	E001	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1040.76990682; Eh
17-Nov-2021	E002	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-1041.89127950; Eh
17-Nov-2021	E002	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1040.76990791; Eh
17-Nov-2021	E003	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-661.46310103; Eh
17-Nov-2021	E003	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-660.967592763; Eh
17-Nov-2021	E004	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-460.15122976; Eh
17-Nov-2021	E004	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-459.748157345; Eh
17-Nov-2021	E005	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-535.62261602; Eh
17-Nov-2021	E005	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-535.131343038; Eh
17-Nov-2021	E006	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-613.98028599; Eh
17-Nov-2021	E006	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-613.438951608; Eh
17-Nov-2021	E007	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-633.62045302; Eh
17-Nov-2021	E007	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-633.075014296; Eh
17-Nov-2021	E008	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-TZVPP/C	-422.23795164; Eh
17-Nov-2021	E008	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-421.859107027; Eh

Showing results 229301 to 229320 of 317914 < previous next >