ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
13
14
15
16
17
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion35 35_anion_TS3_b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-1282.30356444; Eh
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion35 35_anion_TS4_b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-1282.28617483; Eh
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion35 35_anion_TS4_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-1282.28697055; Eh
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion10 HDMS-	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-872.431874692; Eh
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion42 42_anion_IM_b	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.31087534; Eh
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion10 HDMS	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-872.971643342; Eh
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion42 42_anion_TS1_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-1282.29204199; Eh
	13-Feb-2023	/base-driven_skeletal_rearrangements_/anion9 9_anion_TS3	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2SVP	-653.727268784; Eh
	13-Feb-2023	/anion_SPh 42_anion_a	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1282.30994719; Eh
	13-Feb-2023	/homoconjugation CS-13	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2TZVPP	-499.060071293; Eh

Results 151-160 of 170 (Search time: 0.001 seconds).