ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
50
51
52
53
54
55
56
...
109
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jul-2023	15_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-232.158435889; Eh
	27-Jul-2023	2_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-446.689697437; Eh
	27-Jul-2023	6_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-328.897003380; Eh
	27-Jul-2023	1_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-368.162072351; Eh
	27-Jul-2023	16_protonated	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-116.001302770; Eh
	27-Jul-2023	10_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-289.647076902; Eh
	27-Jul-2023	21_neutral	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-247.994949298; Eh
	21-Feb-2023	/M06-2X_6-31+Gd_optimisation_frequencies/no_guest Ax-i-P-trs-P-trs_M06-2X_6-31plGd_chloroformSMD_optimisation_freq	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	6-31+G(D)	-2995.26704093; Eh
	27-Jul-2023	INT6	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-2394.77296460; Eh
	27-Jul-2023	INT4	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2SVP	-2394.33039141; Eh

Results 521-530 of 1082 (Search time: 0.002 seconds).