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Browsing by Author Kojasoy, Volga

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Showing results 41 to 60 of 218 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
7-Jan-2021	9	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	6-31G(D)	-
9-Jan-2021	9-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	6-31G(D)	-
9-Jan-2021	A	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
4-Apr-2022	A	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-836.552072461; Eh
9-Jan-2021	A-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	A_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	A_-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Apr-2022	A_p	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-438.496083613; Eh
19-Jul-2023	allyltrimethylstannane	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-450.874572246; Eh
9-Jan-2021	Anti-4a	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	Anti-4a-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	6-31G(D)	-
9-Jan-2021	Anti-4a-b_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	Anti-4a_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
19-Jul-2023	anti-a-ts	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-2718.15701882; Eh
19-Jul-2023	anti-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-2718.18876555; Eh
19-Jul-2023	anti-c-ts	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UPBE1PBE	DEF2SVP	-1632.72807883; Eh
19-Jul-2023	anti-d	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UPBE1PBE	DEF2SVP	-1632.76606380; Eh
7-Sep-2022	Aplus	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-781.750637674; Eh
9-Jan-2021	B	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
4-Apr-2022	B	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-835.981661421; Eh

Showing results 41 to 60 of 218 < previous next >