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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | /template-1/ts2 ts2_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | RMN15 | GEN | -3126.53680312; Eh | ||
![]() | /template-1/ts2 ts2_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.54014682; Eh | ||
![]() | /template-1/ts2 ts2_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.53050049; Eh | ||
![]() | /template-1/ts3 ts3_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.54222318; Eh | ||
![]() | /template-1/ts3 ts3_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.54324668; Eh | ||
![]() | /template-1/ts3-a ts3a_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.54095681; Eh | ||
![]() | /template-1/ts4 ts4_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.52358421; Eh | ||
![]() | /template-1/ts4 IRC_forward | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3126.56991382; Eh | ||
![]() | /template-1/ts4 IRC_reverse | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | - | - | -3126.54669447; Eh | ||
![]() | /template-1/int4 int4_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3130.0662887; Eh | ||
![]() | /template-1/int5 int5_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.57936193; Eh | ||
![]() | /template-1/int6 int6_FBIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN DEF2TZVPP | -3130.0736472; Eh | ||
![]() | /template-1/int6-a int6-a_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.54798965; Eh | ||
![]() | /template-1/int6-a int6-a_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.54377321; Eh | ||
![]() | /template-1/int7 int7_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | RMN15 | GEN | -3126.58657224; Eh |
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Results 1-15 of 15 (Search time: 0.225 seconds).
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Subject
- 15 C-H activation
- 15 Olefination
- 15 Palladium
Method
- 13 RMN15
Basis
- 11 GEN
- 2 GEN DEF2TZVPP
Program name
- 15 Gaussian
Calculation type
Institution