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Browsing by Author vila, jordi

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Showing results 140 to 146 of 146 < previous

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Oct-2022	TSS(A3A4)cis_(intoRh-Csp3)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GEN	-5534.817378; Eh
	26-Oct-2022	TSS(A3A4)trans_(intoRh-Csp2)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GEN	-5534.7940608; Eh
	26-Oct-2022	TSS(A3A4)trans_(intoRh-Csp3)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GEN	-5534.8232506; Eh
	26-Oct-2022	TSS(A3A4)yne_(intoRh-Csp2)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GEN	-6067.9382562; Eh
	26-Oct-2022	TSS(A3A4)yne_(intoRh-Csp3)	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GEN	-6067.9270123; Eh
	26-Oct-2022	TSS(A4A5)cis	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GEN	-5534.8287244; Eh
	26-Oct-2022	TSS(A4A5)trans	vila, jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GEN	-5534.8310275; Eh

Showing results 140 to 146 of 146 < previous