Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 10-Mar-2021 | /COPPER 2b2pin-Cu | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -2499.1290173; Eh | |||
![]() | 10-Mar-2021 | /LITHIUM 33pin-Li | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -1279.2035254; Eh | |||
![]() | 10-Mar-2021 | /LITHIUM 1adan-Li | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -567.0048547; Eh | |||
![]() | 10-Mar-2021 | /ANIONIC 1cpin | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -681.4493967; Eh | |||
![]() | 10-Mar-2021 | /ANIONIC 1bpin | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -489.7367197; Eh | |||
![]() | 10-Mar-2021 | /ANIONIC 1bdan | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -598.769636; Eh | |||
![]() | 10-Mar-2021 | /COPPER 1cpin-Cu | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -2280.1969394; Eh | |||
![]() | 10-Mar-2021 | /ANIONIC 1adan | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -559.4650399; Eh | |||
![]() | 10-Mar-2021 | /COPPER 2c2pin-Cu | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -2690.8074603; Eh | |||
![]() | 10-Mar-2021 | /ANIONIC 2b2pin | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -900.3557513; Eh |
Results 31-40 of 72 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 72 Gaussian