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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2023	S-TS-I_1	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69562032; Eh
	28-Apr-2023	R-TS-I_24	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69661814; Eh
	28-Apr-2023	R-TS-III_56	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69433446; Eh
	5-Jul-2023	F_TS5_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-4606.34822619; Eh
	5-Jul-2023	F_TS5_1_2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-4606.34165727; Eh
	16-May-2023	TS5_1_2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3983.85551040; Eh
	16-May-2023	TS6_1_2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3983.87491793; Eh
	16-May-2023	TS6_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3983.88291201; Eh
	19-Nov-2023	/H2O2/proton-shuttle TS12-proton-shift	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.90800422; Eh
	16-May-2023	TS5_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3983.85002407; Eh

Results 71-80 of 176 (Search time: 0.002 seconds).