ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
41
42
43
44
45
46
47
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts N_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-366.380695398; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts W_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-229.167793209; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-ts2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2213.88209412; Eh
	11-Apr-2021	/N_sulfonylguanidine n4-i4-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-2573.36514740; Eh
	11-Apr-2021	/N_sulfonylguanidine cn-ptol-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-689.300159695; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-ts2-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2213.90651920; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i2-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.88424214; Eh
	11-Apr-2021	/N_sulfonylguanidine cn-ipr-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-384.554200843; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-i2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.15531439; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-f-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-477.610011659; Eh

Results 431-440 of 12842 (Search time: 0.005 seconds).