ioChem-BD Browse - UdG: Search

Search

previous
1
...
2
3
4
5
6
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Oct-2020	RC_C70_beta	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4302754; Eh
	22-Oct-2020	PRODUCT_C60	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3471.3511626; Eh
	22-Oct-2020	PRODUCT_C70_alpha_bis	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4775485; Eh
	22-Oct-2020	TS_C70_alpha_bis	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM062X	CC-PVTZ	-3852.4036364; Eh
	3-Jan-2023	odhi_m062x_6311gdp_acn_s0_min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-311G(D,P)	-1325.20473245; Eh
	3-Jan-2023	oq_m062x_6311gdp_acn_s0_min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-311G(D,P)	-1323.95248295; Eh
	3-Jan-2023	DHI-Me_S0_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-311G(D,P)	-1325.20473245; Eh
	3-Jan-2023	IQ-Me_S0_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-311G(D,P)	-1323.95248295; Eh
	3-Jan-2023	/protected_IQ-Me/protected_IQ-Me_general_paper/ACN-M06-2X_6-311g(d,p) DHI-Me_S0_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-311G(D,P)	-1325.20473245; Eh
	3-Jan-2023	/protected_IQ-Me/protected_IQ-Me_general_paper/ACN-M06-2X_6-311g(d,p) IQ-Me_S0_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-311G(D,P)	-1323.95248295; Eh

Results 41-50 of 54 (Search time: 0.0 seconds).