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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Ru-5-16	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-349.30076612; eV
	23-Jul-2018	/cis2butene/Pd/100/8H C4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-293.46580671; eV
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T4_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1634.74092883; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-635.611291128; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene I2_HSiOCH33	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1441.11835057; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene T1_HSiOCH33	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1441.08907440; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene T2_HSiOCH33	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1441.10709815; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_Theosilane_in_THF T2_Theosilane	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1556.36960985; Eh
	8-Nov-2018	/water/complexes aq-oaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1591.9299062; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D,P)	-76.4180817126; Eh

Results 10641-10650 of 104079 (Search time: 0.008 seconds).