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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2023	oxydipicene_ts_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-1765.78911410; Eh
	30-Jan-2023	ni_picyne_3_ts_3_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-4042.24630297; Eh
	30-Jan-2023	pd_picyne_3_pph3_ts_2_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP GEN	-3697.52333609; Eh
	30-Jan-2023	ni_picyne_3_ts_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-4042.22295730; Eh
	30-Jan-2023	ni_picyne_3_ts_4_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-4042.24323255; Eh
	30-Jan-2023	t7h_pmm_ppm_opt_ts	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.09653624; Eh
	8-Apr-2024	/figureS1 1TS2ZnoHTMP	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1735.61509088; Eh
	8-Apr-2024	/figureS2 12TS2E	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1515.73713441; Eh
	8-Apr-2024	/figureS2 12TS1E	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1515.73525617; Eh
	7-May-2024	c5ab-cp-pre-ts	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	GEN	-1281.32207771; Eh

Results 111-120 of 164 (Search time: 0.001 seconds).