ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
4
5
6
7
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2022	/reaction_profile NaCo_TS-fix-ts-disp-bb-noHHMDS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2781.55294718; Eh
	6-Aug-2022	/reaction_profile NaCo_TS-fix-ts-disp-bb	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.40224748; Eh
	6-Aug-2022	/products CoNa2-prod-FH1-4trans	Mu, Manting	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3447.72439196; Eh
	16-Mar-2023	/Anisole-lowest-energypath I6	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2297.32336831; Eh
	6-Aug-2022	/products CoNa2-prod-noBenbb-reBen2-tight-disp-F-reopt	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-3844.59621195; Eh
	6-Aug-2022	/reaction_profile NaCo-Cobaltallation-New-ts-dispF	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.39310853; Eh
	6-Aug-2022	/reaction_profile NaCo-Cobaltallation-New-ts-dispB	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.44887734; Eh
	16-Mar-2023	/Anisole-lowest-energypath I51a	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.79124029; Eh
	16-Mar-2023	/Anisole-lowest-energypath I61a	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.81939553; Eh

Results 61-69 of 69 (Search time: 0.002 seconds).