Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /N_sulfonylguanidine n3-i4-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -2213.92395353; Eh | ||
 | /N_sulfonylguanidine n4-i3-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1631.34780112; Eh | ||
 | /N_sulfonylguanidine n4-i5-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1631.36417346; Eh | ||
 | /N_sulfonylguanidine n3-ts1-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1338.50081941; Eh | ||
 | /N_sulfonylguanidine n1-i3-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1405.18788021; Eh | ||
 | /N_sulfonylguanidine n1-i3-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1405.19970031; Eh | ||
 | /N_sulfonylguanidine n3-i2-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1338.50514281; Eh | ||
 | /N_sulfonylguanidine n1-i4-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -2347.23713589; Eh | ||
 | /N_sulfonylguanidine n3-i3-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1338.54136519; Eh | ||
 | /N_sulfonylguanidine n4-i5-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1631.34391920; Eh | ||
 | /N_sulfonylguanidine n3-ts2-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -2213.90364028; Eh | ||
 | /N_sulfonylguanidine n1-ts2-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -2347.21676751; Eh | ||
 | /N_sulfonylguanidine n4-i3-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1631.34654563; Eh | ||
 | /N_sulfonylguanidine n2-i2-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1259.88705652; Eh | ||
 | /N_sulfonylguanidine n1-i4-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -2347.23932456; Eh | ||
 | /N_sulfonylguanidine cn-tbu-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -463.165009362; Eh | ||
 | /N_sulfonylguanidine n1-i2-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1405.17618707; Eh | ||
 | /N_sulfonylguanidine n3-i3-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1338.52982543; Eh | ||
 | /N_sulfonylguanidine n1-i5-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1405.20815729; Eh | ||
 | /N_sulfonylguanidine n1-ts2-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -2347.19805434; Eh | ||
 | /N_sulfonylguanidine n2-i5-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1259.93673831; Eh | ||
 | /N_sulfonylguanidine n2-ts1-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1259.88361140; Eh | ||
 | /N_sulfonylguanidine n1-i5-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1405.22351340; Eh | ||
 | /N_sulfonylguanidine n4-i1add-mix | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1631.33000554; Eh | ||
 | /N_sulfonylguanidine n4-i2-dcm | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-31+G(D) | -1631.29783098; Eh |
Results 1-25 of 94 (Search time: 0.146 seconds).
Discover
Subject
- 94 DFT
- 94 Diels-Alder
- 94 LAG
- 94 Mechanochemistry
- 94 N-sulfonylguanidine
Basis
- 94 6-31+G(D)
Stoichiometry
Program name
- 94 Gaussian
Calculation type
Institution