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자료 필터
자료유형
발행연도
2022 ~ 2025
2022 2025
키워드
언어
전체 28건 중 1번부터 10번까지의 결과를 표시합니다.
2025
Article
Assessing spin-flip time-dependent density-functional-based tight-binding for describing Z/E photoisomerization reactions
- Huix-Rotllant, Miquel ;
- Park, Woojin ;
- Mazaherifar, Mohsen ;
- Choi, Cheol Ho
- 2025-06
- Theoretical Chemistry Accounts
- SPRINGER
Article
Tipping the ultrafast photochemical balance of cis-stilbene
- Farmani, Maryam ;
- Park, Woojin ;
- Lee, Seunghoon ;
- Choi, Cheol Ho
- 2025-06
- Photochemical & Photobiological Sciences
- SPRINGERNATURE
Article
Addressing the High-Throughput Screening Challenges of Inverted Singlet-Triplet Materials by MRSF-TDDFT
- Lashkaripour, Alireza ;
- Park, Woojin ;
- Mazaherifar, Mohsen ;
- Choi, Cheol Ho
- 2025-05
- Journal of Chemical Theory and Computation
- AMER CHEMICAL SOC
Article
Assessment of Free Energies From Electrostatic Embedding Density Functional Tight Binding-Based/Molecular Mechanics in Periodic Boundary Conditions
- Bonfrate, Simone ;
- Park, Woojin ;
- Trejo-Zamora, Dulce ;
- Ferre, Nicolas ;
- Choi, Cheol Ho ;
- 외 1명
- 2025-04-30
- Journal of Computational Chemistry
- WILEY
Article
MRSF-TDDFT: A new tool in quantum chemistry for better understanding molecules and materials
- Park, Woojin ;
- Lee, Seunghoon ;
- Komarov, Konstantin ;
- Mironov, Vladimir ;
- Nakata, Hiroya ;
- ... Choi, Cheol Ho ;
- 외 2명
- 2025-04
- Bulletin of the Korean Chemical Society
- WILEY-V C H VERLAG GMBH
2024
Article
Temperature Controlled Decay and Pendulum Dynamics of Green Fluorescent Protein (GFP) Chromophore
- Park, Woojin ;
- Oh, Juwon ;
- Kim, Jinseok ;
- Lee, Seunghoon ;
- Kim, Ji Heon ;
- ... Choi, Cheol Ho ;
- 외 2명
- 2024-11-08
- The Journal of Physical Chemistry Letters
- AMER CHEMICAL SOC
Article
OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem
- Mironov, Vladimir ;
- Komarov, Konstantin ;
- Li, Jingbai ;
- Gerasimov, Igor ;
- Nakata, Hiroya ;
- ... Choi, Cheol Ho ;
- 외 7명
- 2024-10-30
- Journal of Chemical Theory and Computation
- AMER CHEMICAL SOC
Article
UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT
- Komarov, Konstantin ;
- Oh, Minseok ;
- Nakata, Hiroya ;
- Lee, Seunghoon ;
- Choi, Cheol Ho
- 2024-10-17
- Journal of Physical Chemistry A
- AMER CHEMICAL SOC
Article
Chemoexcited Formation and Radiationless Decay Dynamics of Firefly Chromophore
- Farmani, Maryam ;
- Lee, Seunghoon ;
- Zeng, Tao ;
- Choi, Cheol Ho
- 2024-09-11
- The Journal of Physical Chemistry Letters
- AMER CHEMICAL SOC
Article
Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT
- Park, Woojin ;
- Lashkaripour, Alireza ;
- Komarov, Konstantin ;
- Lee, Seunghoon ;
- Huix-Rotllant, Miquel ;
- ... Choi, Cheol Ho
- 2024-06-21
- Journal of Chemical Theory and Computation
- AMER CHEMICAL SOC