ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
5
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	2	Garcia Melchor, Max	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.55268078; Eh
	6-Aug-2022	/reactant NaHMDS-2ben	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1499.92802097; Eh
	6-Aug-2022	/reactant NaCo-3HMDS-XRD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2927.20869407; Eh
	6-Aug-2022	/reactant Na2-2ben	Mu, Manting	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2535.55040997; Eh
	6-Aug-2022	/reactant Co-2HMDSb	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1891.58433869; Eh
	6-Aug-2022	/intermediates NaCo-3HMDS-C6F5Hb-disp-b2-reopt	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.43445724; Eh
	6-Aug-2022	/intermediates NaCoHMDS-prod-tC6F5-mono	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2781.56404375; Eh
	6-Aug-2022	/intermediates NaCo-Int-2brC6F5-HMDS-new	Mu, Manting	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2635.87850234; Eh
	6-Aug-2022	/intermediates NaCo-Int-HMDS-2C6F5-disp-b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2635.89688644; Eh
	6-Aug-2022	/intermediates NaCo-Int-3C6F5b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2490.21730671; Eh

Results 1-10 of 41 (Search time: 0.001 seconds).