ioChem-BD Browse - UdG: Browsing Browse

Browsing by Subject Photochemistry

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:

Showing results 1 to 20 of 66 next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Sep-2021	5b	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	DEF2TZVP	-1087.39792773; Eh
20-Sep-2021	5b_prime	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	DEF2TZVP	-1087.41939444; Eh
20-Sep-2021	5c	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVP	-
20-Sep-2021	6	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	DEF2TZVP	-935.855917266; Eh
20-Sep-2021	6a	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1087.44020178; Eh
20-Sep-2021	CO	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	DEF2TZVP	-113.322335097; Eh
20-Sep-2021	H2O2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-151.574618887; Eh
20-Sep-2021	INT_C2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	UwB97XD	DEF2TZVP	-1087.41296946; Eh
20-Sep-2021	INT_C2P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1087.45293884; Eh
20-Sep-2021	INT_C4	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	DEF2TZVP	-1087.41615259; Eh
20-Sep-2021	INT_C4P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1087.44313805; Eh
20-Sep-2021	INT_HOO	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVP	-
20-Sep-2021	INT_OO	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1087.44742393; Eh
20-Sep-2021	INT_OOH	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVP	-
20-Sep-2021	O2	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	DEF2TZVP	-
20-Sep-2021	P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1087.59078926; Eh
20-Sep-2021	reactant_TS_C2PW	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1163.90326700; Eh
20-Sep-2021	reactant_TS_C2PWB	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1163.89927879; Eh
20-Sep-2021	reactant_TS_C4PW	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1163.89874663; Eh
20-Sep-2021	reactant_TS_C4PWB	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1163.91028275; Eh

Showing results 1 to 20 of 66 next >