ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
8
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2019	Monoterpenes-49-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.472100277; Eh
	2-Mar-2019	Monoterpenes-48-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.477850035; Eh
	2-Mar-2019	Monoterpenes-45-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.474351735; Eh
	2-Mar-2019	Monoterpenes-40-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.489425647; Eh
	2-Mar-2019	Monoterpenes-34-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.488369722; Eh
	2-Mar-2019	Monoterpenes-29-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.499424709; Eh
	2-Mar-2019	Monoterpenes-27-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.499852814; Eh
	2-Mar-2019	Monoterpenes-23-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.503759074; Eh
	2-Mar-2019	Monoterpenes-10-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.507721638; Eh
	2-Mar-2019	Monoterpenes-06-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.511036791; Eh

Results 1-10 of 78 (Search time: 0.001 seconds).