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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2024	TS_m_CF3	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1535.27394047; Eh
	28-Feb-2024	TS_m_Br	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-3771.67459589; Eh
	28-Feb-2024	TS_m_Cl	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1657.98320789; Eh
	28-Feb-2024	TS_m_CN	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1290.69251235; Eh
	28-Feb-2024	TS_m_F	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1297.67060376; Eh
	28-Feb-2024	TS2_sigma_bond_metathesis	Alves, Erick	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization TS	RM06L	DEF2SVP	-1198.49095308; Eh
	13-Dec-2023	B12I10SCN+I	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RB3LYP	DEF2TZVPP	-4066.05809474; Eh
	7-May-2024	c5ab-cp-pre-ts	Cambeiro, Xacobe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	GEN	-1281.32207771; Eh
	20-May-2024	/TS_and_displacement_SiMe2Ph SiMe2Ph-HSi-ts	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2660.25667797; Eh
	6-Nov-2023	Zr6cluster_4oh_ts	Penas, Francesc	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2702.33995662; Eh

Results 1441-1450 of 1450 (Search time: 0.003 seconds).