Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /template-3/ts1/c5 10_ts1c5_BBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3061.4505035; Eh | ||
 | /template-3/ts1/c5 14_ts1c5_BBIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3061.450836; Eh | ||
 | /template-3/ts1/c5 16_ts1c5_BBOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3061.4486698; Eh | ||
 | /template-3/ts1/c3 ts1c3_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3061.4515526; Eh | ||
 | /template-3/ts2/iminol ts2_FBONIA_imidicacid_mpaa | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3407.0012459; Eh | ||
 | /template-3/int4 int4_1FBONIA_QRCR | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3407.0345158; Eh | ||
 | /template-2/ts1_t2/c5 ts1_FBIAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0376342; Eh | ||
 | /template-2/ts1_t2/c6 ts1c6_FBONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0363154; Eh | ||
 | /template-2/ts1_t2/c7 ts1c7_BFONIN_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0224868; Eh | ||
 | /template-2/ts1_t2/c4 ts1c4_FFONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0350852; Eh | ||
 | /template-2/ts1_t2/c4 ts1c4_FFIAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.033106; Eh | ||
 | /template-2/ts1_t2/c4 ts1c4_BFOAIN_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0329865; Eh | ||
 | /template-2/ts1_t2/c3 ts1c3_BFOAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0346221; Eh | ||
 | /template-2/ts4_t2 ts4_FFONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3208.5992259; Eh | ||
 | /template-2/int1 2_FFONON | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2299.7318179; Eh | ||
 | /template-2/int1 13_FFOAOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2299.72906; Eh | ||
 | /template-2/int1 20_BBONON | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2299.7293253; Eh | ||
 | /template-2/int1 23_FFIAOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2299.7278073; Eh | ||
 | /template-2/int2 int2_FFONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0493906; Eh | ||
 | /template-2/int2 int2_FFINIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0470233; Eh | ||
 | /template-2/int2 int2_FFIAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0504132; Eh | ||
 | /template-2/int2 int2_FFOAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2863.0468804; Eh | ||
 | /template-2/int6 int6_FFONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3208.6210897; Eh | ||
 | /template-2/int6 int6_BFINIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3208.6235195; Eh | ||
 | /template-1/ts1/c4 ts1c4_FFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -2784.4777618; Eh |
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Subject
- 32 C-H activation
- 32 Olefination
- 32 Palladium
Method
- 32 RMN15
Stoichiometry
Program name
- 32 Gaussian
Calculation type
Institution