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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2022	/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_A	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311+G(D,P)	-1341.0811223; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_A2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1265.2877435; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_A1	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1265.2805399; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_A	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1341.7343149; Eh
	16-Jan-2023	ts-34-FWD	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	-	DEF2SVP	-1525.85724171; Eh
	16-Jan-2023	ts-34-REV	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	-	DEF2SVP	-1525.86301506; Eh
	8-Aug-2022	nob-TS-US	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2719.53066030; Eh
	15-Jul-2022	/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS4	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311+G(D,P)	-1264.6094514; Eh
	15-Jul-2022	/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS5	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311+G(D,P)	-1568.812444; Eh
	15-Jul-2022	/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS3	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311+G(D,P)	-1264.6177586; Eh

Results 3611-3620 of 8096 (Search time: 0.006 seconds).