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Density functional calculations
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Radicals
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Ab initio calculations
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- 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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RtHCTHhyb
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IRC
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mp2
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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
- 15 RtHCTHhyb
- 14 IRC
- 13 mp2
- 13 RMN15L
- 13 thf
- 13 uwB97XD
- 12 dft
- 12 RTD-wB97XD-FC
- 11 Aug-CC-pVDZ
- 11 M06L
- < 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: |