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Browsing by Author Guo, Wentao

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Nov-2022	acetic_acid	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-228.651093739; Eh
2-Mar-2023	AcO-	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-228.191567222; Eh
2-Mar-2023	AcOH	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVPP	-228.662127995; Eh
13-Feb-2023	/anion_H 10_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.732961954; Eh
13-Feb-2023	/anion_H 11_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.725901972; Eh
13-Feb-2023	/anion_H 12_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.741373274; Eh
13-Feb-2023	/anion_H 13_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.744067585; Eh
13-Feb-2023	/anion_H 14_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.749053812; Eh
13-Feb-2023	/anion_H 15_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.737453356; Eh
13-Feb-2023	/anion_H 16_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.723921145; Eh
13-Feb-2023	/anion_H 17_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.726858719; Eh
13-Feb-2023	/anion_H 18(23)_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.745633620; Eh
13-Feb-2023	/anion_H 19(20)_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.741017024; Eh
13-Feb-2023	/anion_H 21_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.736090134; Eh
13-Feb-2023	/anion_H 22(25)_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.749940389; Eh
13-Feb-2023	/anion_H 24(26)_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.743855131; Eh
13-Feb-2023	/anion_H 27_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.752569035; Eh
13-Feb-2023	/anion_H 28_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.740945544; Eh
13-Feb-2023	/anion_H 30_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.718672436; Eh
13-Feb-2023	/anion_H 32_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.729826221; Eh

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