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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T2_H2SiPh2_Mech2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1559.42689616; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T0_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1559.43497940; Eh
	23-Aug-2018	/ni4p3_ni5p4/ts_methyl_but_ol_P_Ni_site c2h3+h_2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-932.59999095; eV
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-849.441885929; Eh
	8-May-2017	Ru-7-02	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-340.33897698; eV
	8-May-2017	Pt-4-44	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-317.06081435; eV
	8-May-2017	Cu-2011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-153.00407256; eV
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T1_H2SiPh2_Mech1	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-1559.43337015; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K Phenylphospholane	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-730.208978175; Eh
	8-Nov-2018	/water/complexes aq-nhchgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-402.7432554; Eh

Results 10891-10900 of 104079 (Search time: 0.009 seconds).