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Browsing by Author Petter, Dunås

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
23-Oct-2019	10	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	10-PdH	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
17-Feb-2020	2a	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	3aa	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	3aa-PdH	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
24-Oct-2019	3aa_PdH	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	IN1	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	IN1_iso	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	IN2	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	IN2_iso	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	IN3	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	IN3_iso	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	IN5	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	MeCN	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	PdH1	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
23-Oct-2019	PdPh1	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
27-Feb-2020	TS1-E_cis_in	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
27-Feb-2020	TS1-E_cis_out	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
27-Feb-2020	TS1-E_trans_in	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-
27-Feb-2020	TS1-E_trans_out	Petter, Dunås	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-

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