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

Search

previous
1
...
1097
1098
1099
1100
1101
1102
1103
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2018	/Suggested_Synthesis_Theosilane T3_with_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1383.71078202; Eh
	22-May-2018	/Suggested_Synthesis_Theosilane T4	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1453.50990395; Eh
	8-May-2017	Ru-5-36	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-355.61723654; eV
	8-May-2017	Pt-3-50	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-323.01910688; eV
	8-May-2017	Ru-34214	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-373.64908901; eV
	23-Jul-2018	/1butene/Pt/111/9H C4H9NTtoC4H10NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-362.75554128; eV
	23-Jul-2018	/1butene/Pt/111/9H C4H10T	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-363.51947555; eV
	23-Jul-2018	/1butene/Pt/111/9H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-362.50558516; eV
	23-Jul-2018	/1butene/Pt/111/9H C4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-363.13975413; eV
	22-May-2018	/Suggested_Synthesis_Theosilane T2_reactionH2O_with_NMe3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1232.21884147; Eh

Results 10991-11000 of 104079 (Search time: 0.009 seconds).