ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
1104
1105
1106
1107
1108
1109
1110
...
10408
next

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/Toluene_373K I1_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1559.45529133; Eh
	22-May-2018	/1-phenylphospholane_oxide_+_HSiPh3_in_toluene I1_HSiPh3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1790.51529563; Eh
	8-Nov-2018	/water/complexes aq-nh3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1573.028412; Eh
	30-Jan-2018	bulk_n_PHI	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	-	-	-1570.11832843; eV
	8-May-2017	Ru-4-06	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-359.45652571; eV
	8-May-2017	Ru-5-20	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-348.88512853; eV
	8-May-2017	Ru-32109	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-359.26121749; eV
	8-May-2017	Ru-38301	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-394.78008074; eV
	8-May-2017	Ru-36101	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-373.76273639; eV
	22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K T6_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1634.73708958; Eh

Results 11061-11070 of 104079 (Search time: 0.009 seconds).