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

Search

previous
1
...
941
942
943
944
945
946
947
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2017	_2_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-5546.14639114; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	D95(d); SDD	-5546.13344183; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	D95(d); SDD	-5546.14232152; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	D95(d); SDD	-5546.13533497; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14293495; Eh
	31-Jan-2017	_2_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14716548; Eh
	31-Jan-2017	_2_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-5546.14716548; Eh
	31-Jan-2017	_2constrained_Optimization	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.07111349; Eh
	31-Jan-2017	_1constrained_Optimization	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.13504912; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part7	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-5546.14258597; Eh

Results 9431-9440 of 103542 (Search time: 0.007 seconds).