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Journal / Chemistry / 분자 응집체 및 고체의 광학 흡수 스펙트럼 및 광전자 적 특성을 계산하기위한…
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Chemistry

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JoVE Journal Chemistry
분자 응집체 및 고체의 광학 흡수 스펙트럼 및 광전자 적 특성을 계산하기위한 Excitonic Hamiltonians
TiO2-coated Hollow Glass Microspheres with Superhydrophobic and High IR-reflective Properties Synthesized by a Soft-chemistry Method
Journal (Chemistry)
TiO2-coated Hollow Glass Microspheres with Superhydrophobic and High IR-reflective Properties Synthesized by a Soft-chemistry Method
Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
Journal (Chemistry)
Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
 
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분자 응집체 및 고체의 광학 흡수 스펙트럼 및 광전자 적 특성을 계산하기위한 Excitonic Hamiltonians

Article DOI: 10.3791/60598-v • 08:04 min • May 27th, 2020
May 27th, 2020 •
1, 2, 1, 1, 2
1Department of Chemistry and Biochemistry, California State University, East Bay, 2Department of Chemistry and Chemical Biology, University of California, Merced

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여기서, 우리는 제1 원리 양자 화학 계산에서 분자 물질의 광학 흡수 스펙트럼 및 광전자 적 특성을 계산하기 위한 단단한 결합 excitonic Hamiltonian을 파라메트화하기 위한 프로토콜을 제시합니다.

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화학 문제 159 엑시톤 모델 멀티 스케일 모델링 수치 시뮬레이션 흡수 스펙트럼 분자 재료 광전자
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