Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
asty | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -309.307660952; Eh | |||
chf2 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -238.096821219; Eh | |||
bsty-aa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.481107836; Eh | |||
bsty-ab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.481417278; Eh | |||
bsty-ac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.480806757; Eh | |||
bsty-ba | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.481211418; Eh | |||
bsty-bb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.481211417; Eh | |||
bsty-bc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.480969524; Eh | |||
bsty-ca | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.481417138; Eh | |||
bsty-cb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.481107824; Eh | |||
bsty-cc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | UPBE1PBE | 6-31+G(D,P) | -547.480806899; Eh | |||
csty-aa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.306768999; Eh | |||
csty-ab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.306216036; Eh | |||
csty-ac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.306611727; Eh | |||
csty-ba | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.306216010; Eh | |||
csty-bb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.306778427; Eh | |||
csty-bc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.306610660; Eh | |||
csty-ca | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.301927270; Eh | |||
csty-cb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.306768948; Eh | |||
csty-cc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -547.300585080; Eh | |||
dsty-aaaa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -775.783897449; Eh | |||
dsty-aaab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -775.782400839; Eh | |||
dsty-aaac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -775.781840077; Eh | |||
dsty-aaba | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -775.783197522; Eh | |||
dsty-aabb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | RPBE1PBE | 6-31+G(D,P) | -775.784617264; Eh |
Results 1-25 of 117 (Search time: 0.086 seconds).
Discover
Basis
- 117 6-31+G(D,P)
Stoichiometry
- 76 C11H12F2O2
- 18 C11H10F2O2
- 18 C9H9F2
- 1 C2H4O2
- 1 C7H10N
- 1 C7H9N
- 1 C8H8
- 1 CHF2
Program name
- 117 Gaussian
Institution