ioChem-BD Browse - UdG: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/SPE C1_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	-	-3239.1870774; Eh
3-Oct-2019	/SPE A3_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5269417; Eh
3-Oct-2019	/SPE B1_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.4916476; Eh
3-Oct-2019	/SPE A8_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5922353; Eh
3-Oct-2019	/SPE A2_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-2368.2646975; Eh
3-Oct-2019	/SPE A6_SPE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06	cc-pVTZ	-4653.5700677; Eh
22-Oct-2020	TS_C70_beta	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06	CC-PVTZ	-3851.0584416; Eh
25-Oct-2023	/HFIPP TSA3A4	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06	CC-PVDZ	-6082.92575633; Eh
25-Oct-2023	/HFIPP A3	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	CC-PVDZ	-6082.94476101; Eh
25-Oct-2023	/HFIPP A4	Lledó, Agustí	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	CC-PVDZ	-6082.94434623; Eh

Results 21-30 of 71 (Search time: 0.001 seconds).