Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
about
Investigation of water bound to photosystem I with multiquantum filtered 17 O nuclear magnetic resonance.Accurate metal-site structures in proteins obtained by combining experimental data and quantum chemistry.Exciton delocalization and transport in photosystem I of cyanobacteria Synechococcus elongates: simulation study of coherent two-dimensional optical signals.Q|R: quantum-based refinement.Quantum chemical description of absorption properties and excited-state processes in photosynthetic systems.Chlorophyll ring deformation modulates Qy electronic energy in chlorophyll-protein complexes and generates spectral forms.Quantum mechanical calculation of nanomaterial-ligand interaction energies by molecular fractionation with conjugated caps method.Solving the scalability issue in quantum-based refinement: Q|R#1.A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems.Systematic fragmentation of large molecules by annihilation.Elucidating the fundamental forces in protein crystal formation: the case of crambin.
P2860
Q31142591-C4B40921-D92B-4EDD-9352-CD978F047167Q33271330-62FED95A-670B-4650-A8EC-34EDB9427B00Q33999821-B06A0D9A-6BA3-4869-B765-48309D5789E4Q36237656-6CD1CBDD-C724-4DD4-8A29-8CC74A2614D2Q37979727-8474850A-5274-4581-82E3-42036714411AQ41814113-7BAAE79F-3450-4C75-BAA4-B9FDB7E295BEQ42316012-66B103F1-6485-4827-AB4A-257CAAEF22D6Q47589581-7EDA177E-6D9D-46AF-BF31-765088198B1EQ47878341-71E539C0-1492-4277-A933-086CEACF2E44Q51413159-050348A1-F19C-4AE0-B3CA-AE5854B68316Q55284343-7279DF06-B0C5-4992-8A14-7DD794DD81BB
P2860
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
@en
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
@nl
type
label
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
@en
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
@nl
prefLabel
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
@en
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
@nl
P2860
P50
P356
P1476
Density-functional geometry optimization of the 150,000-atom photosystem-I trimer.
@en
P2093
Mats G Dahlbom
P2860
P304
P356
10.1063/1.2148956
P407
P577
2006-01-01T00:00:00Z