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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Nov-2017	Pd-TPP_a	Fako, Edvin	vasp; 5.4.4; 28Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-524.62983533; eV
	3-Nov-2017	Pd-TPP_y	Fako, Edvin	vasp; 5.4.4; 22Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-594.63499088; eV
	17-Oct-2017	/reactions/ni fs_b02	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-696.72407101; eV
	17-Oct-2017	/reactions/ni fs_b01	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.16295455; eV
	17-Oct-2017	/reactions/ni fs_a21	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-536.07057560; eV
	11-Apr-2021	/N_sulfonylguanidine n3-i3-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1338.54267016; Eh
	29-Feb-2016	TS3b-cis-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-31G*	-3792.31209129; Eh
	17-Oct-2017	/reactions/ni fs_b15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.68599451; eV
	17-Oct-2017	/reactions/ni fs_b03	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.58262161; eV
	17-Oct-2017	/reactions/ni fs_b04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.50328277; eV

Results 2491-2500 of 103928 (Search time: 0.005 seconds).