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Browsing by Author Guo, Wentao

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Showing results 41 to 60 of 627 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
13-Feb-2023	/anion_H 33_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.753234785; Eh
13-Feb-2023	/anion_H 34_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.753053106; Eh
13-Feb-2023	/anion_H 9(29)_anion	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-653.746063916; Eh
13-Feb-2023	/anion_SPh 35_anion_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.32059248; Eh
13-Feb-2023	/anion_SPh 35_anion_b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.32227450; Eh
13-Feb-2023	/anion_SPh 38_anion_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.31040907; Eh
13-Feb-2023	/anion_SPh 38_anion_b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.31098899; Eh
13-Feb-2023	/anion_SPh 39_anion_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.32919013; Eh
13-Feb-2023	/anion_SPh 39_anion_b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.32809908; Eh

Showing results 41 to 60 of 627 < previous next >