A model electronic Hamiltonian for the self-assembly of an octahedron-shaped coordination capsule.

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A model electronic Hamiltonian for the self-assembly of an octahedron-shaped coordination capsule.

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2017 nî lūn-bûn

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2017年学术文章

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A model electronic Hamiltonian ...... n-shaped coordination capsule.

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A model electronic Hamiltonian ...... n-shaped coordination capsule.

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A model electronic Hamiltonian ...... n-shaped coordination capsule.

@en

A model electronic Hamiltonian ...... n-shaped coordination capsule.

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A model electronic Hamiltonian ...... n-shaped coordination capsule.

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A model electronic Hamiltonian ...... n-shaped coordination capsule.

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P1476

A model electronic Hamiltonian ...... n-shaped coordination capsule.

@en

P2093

Hirofumi Sato

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Satoru Iuchi

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Yoshihiro Matsumura

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P2860

Beyond molecules: self-assembly of mesoscopic and macroscopic components

Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Valence Bond Concepts Applied to the Molecular Mechanics Description of Molecular Shapes. 3. Applications to Transition Metal Alkyls and Hydrides

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

Development and testing of a general amber force field

Automatic atom type and bond type perception in molecular mechanical calculations

Metal-organic frameworks and self-assembled supramolecular coordination complexes: comparing and contrasting the design, synthesis, and functionality of metal-organic materials.

Self-assembly at all scales.

Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases.

P31

scholarly article

P356

10.1039/C7CP06094G

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P407

English

P577

2017-12-15T00:00:00Z

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P698

29242869

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P921

self-assembly