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- 12577
Density functional calculations
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Radicals
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Ab initio calculations
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Aromaticity
- 6643
Magnetic properties
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2D Covalent Organic Frameworks
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BF3 Solvation
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Homogeneous catalysis
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ONIOM
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UFF
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HFFRAGMENTINTERACTION
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RASSCF
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Recent Submissions
Date:
2026-08-04T14:25:33.376648Z
Title:
/search_for_S1-T2_X1_and_NTOs TDDFT_on_S1-T2_X1_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.163747Z
Title:
/search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job35_A_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.104381Z
Title:
/search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job17_B_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.038889Z
Title:
/search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job57_B_
Author:
Serapian, Stefano A.
Keywords:
Date:
2026-08-04T14:25:33.315532Z
Title:
/search_for_S1-T2_X1_and_NTOs S0-S1_X1_NTO_
Author:
Serapian, Stefano A.
Keywords:
Welcome to the ioChem-BD Computational Chemistry repository, hosted at:
If you want to request for a user account, please apply here
You can read more about this platform on its wiki and on this paper
Discover
Subject
- 12577 Density functional calculations
- 7021 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
- next >
Method
- 11 ONIOM
- 11 UFF
- 10 HFFRAGMENTINTERACTION
- 10 RASSCF
- 10 RB1LYP
- 10 RBHandHLYP
- 10 RBMK
- 10 RSOGGA11X
- 10 RwB97X
- 10 RX3LYP
- < previous next >
Recent Submissions
| Date: | 2026-08-04T14:25:33.376648Z |
| Title: | /search_for_S1-T2_X1_and_NTOs TDDFT_on_S1-T2_X1_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.163747Z |
| Title: | /search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job35_A_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.104381Z |
| Title: | /search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job17_B_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.038889Z |
| Title: | /search_for_S1-T2_X1_and_NTOs/search_with_easyMECP Job57_B_ |
| Author: | Serapian, Stefano A. |
| Keywords: |
| Date: | 2026-08-04T14:25:33.315532Z |
| Title: | /search_for_S1-T2_X1_and_NTOs S0-S1_X1_NTO_ |
| Author: | Serapian, Stefano A. |
| Keywords: |