ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
...
17
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2019	G32_P109_OOH-12	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.12590900; Eh
	24-Apr-2019	G32_P109_OOH-13	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2023.16199028; Eh
	24-Apr-2019	P12_P109_OH28	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1947.26850686; Eh
	24-Apr-2019	P12_P109_OH29	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-1947.27182255; Eh
	24-Apr-2019	P12_P109_OOH41	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.44526091; Eh
	24-Apr-2019	P12_P109_OOH33	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.38355493; Eh
	24-Apr-2019	P12_P109_OOH52	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.38066808; Eh
	24-Apr-2019	P12_P109_OOH-52	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.51609577; Eh
	24-Apr-2019	P12_P109_OOH-41	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.60841409; Eh
	24-Apr-2019	P12_P109_OOH-53	Mates Torres, Eric	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	6-31g(d,p); 6-31+g(d,p)	-2022.53934930; Eh

Results 11-20 of 169 (Search time: 0.001 seconds).