ioChem-BD Browse - Barcelona Supercomputing Center: Browsing Browse

Browsing by Subject Dehydrogenation

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 21 to 22 of 22 < previous

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	TS4	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1916.68733140; Eh
	28-Apr-2020	TS5	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1997.54407607; Eh

Showing results 21 to 22 of 22 < previous