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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	ni_picyne_4_int_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-4890.6188944; Eh
	15-Jun-2023	t7h_pmm_ppm_spe_bis	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.7305642; Eh
	20-Sep-2023	hbtp_ppp_mpp_temp	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2SVP	-1613.26204065; Eh
	20-Sep-2023	hbtp_ppp_temp	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2SVP	-1613.31366924; Eh
	20-Sep-2023	hbtp_mpp_temp	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2SVP	-1613.30555865; Eh
	20-Sep-2023	hbtp_mpp_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1614.9645285; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_5_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.1366379; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.0278685; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_3_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.0946303; Eh
	30-Jan-2023	ni_picyne_2_int_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-3199.5291489; Eh

Results 71-80 of 115 (Search time: 0.001 seconds).