Hybrid Approaches

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edoapra edited this page Mar 3, 2022 · 4 revisions

Hybrid Approaches

COSMO Solvation Model

SMD Model

VEM Model

Hybrid Calculations with ONIOM

Combined quantum and molecular mechanics (QM/MM)

External charges (Bq)

1D-RISM

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NWChem User Documentation

Overview

System Description

Quantum Mechanical Methods

Quantum Molecular Dynamics

Molecular Mechanics

Hybrid Approaches

Potential Energy Surface Analysis

Electronic Structure Analysis

Other Capabilities

Examples

Supplementary Information

Compiling NWChem

Developer

Benchmarks

FAQ

Known Bugs

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