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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall7	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.28812225; Eh
	3-Oct-2019	water_ts_sp2_pdpph3_s_trans_medium	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) 6-31G(D) SDD GEN	-5003.63678408; Eh
	3-Oct-2019	water_sp2_ts_pdpf3_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3572.01905856; Eh
	3-Oct-2019	THF_sp2_ts_pdpme3_s_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.15579363; Eh
	3-Oct-2019	THF_sp2_ts_pdph32_c_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3617.33045544; Eh
	3-Oct-2019	THF_sp2_ts_pdph3_s_trans3	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.17719940; Eh
	3-Oct-2019	THF_sp2_ts_pdpme3_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.15339772; Eh
	3-Oct-2019	ircfor_thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall13	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.33471403; Eh
	3-Oct-2019	thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall3	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28096684; Eh
	3-Oct-2019	thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall16_b	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.28812225; Eh

Results 24111-24120 of 106051 (Search time: 0.016 seconds).