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Showing results 41 to 60 of 132 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Apr-2021	/N_sulfonylguanidine cn-ipr-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-384.554681775; Eh
11-Apr-2021	/N_sulfonylguanidine cn-ptol-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-689.306315780; 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 cn-ptol-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-689.306958514; Eh
11-Apr-2021	/N_sulfonylguanidine cn-tbu-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-463.169725897; Eh
11-Apr-2021	/N_sulfonylguanidine cn-tbu-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-463.165009362; Eh
11-Apr-2021	/N_sulfonylguanidine cn-tbu-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-463.170262101; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i1add-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19545168; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i1add-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.18482811; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i1add-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19630715; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i2-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.17422713; 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
11-Apr-2021	/N_sulfonylguanidine n1-i2-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.17618707; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i3-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19869286; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i3-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.18788021; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i3-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19970031; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i4-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-2347.23713589; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i4-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-2347.23932456; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i5-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.22351340; Eh
11-Apr-2021	/N_sulfonylguanidine n1-i5-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.20815729; Eh

Showing results 41 to 60 of 132 < previous next >