ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
13
14
15
16
17
18
19
...
20
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Dec-2023	HRS-MeCN	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.94888990; Eh
	29-Dec-2023	HRR-MeCN	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.94756628; Eh
	21-Dec-2023	compound_B	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1885.01030996; Eh
	21-Dec-2023	compound_A	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-2693.54218902; Eh
	29-Dec-2023	HpRR-MeCN	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.93999076; Eh
	29-Dec-2023	HpSS-MeCN	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.93722313; Eh
	29-Dec-2023	I-MeCN	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.94656344; Eh
	8-Apr-2024	/figureS1 1I4Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1618.21864992; Eh
	8-Apr-2024	/figureS1 1I3Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1618.22935741; Eh
	8-Apr-2024	/figureS1 1I1Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1618.21704157; Eh

Results 151-160 of 196 (Search time: 0.001 seconds).