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Accurate van der Waals force field for gas adsorption in porous materials

Lei Sun, Li Yang, Ya-Dong Zhang, Qi Shi, Rui-Feng Lu, Wei-Qiao Deng · 1991 · Journal of Computational Chemistry · DOI 10.1002/jcc.24832

1 Pith paper cite this work, alongside 42 external citations. Polarity classification is still indexing.

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42 external citations · OpenAlex
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cond-mat.stat-mech 1

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2025 1

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CONDITIONAL 1

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Benchmarking Energy Calculations Using Formal Proofs

cond-mat.stat-mech · 2025-05-14 · conditional · novelty 6.0

LeanLJ computes Lennard-Jones energies and long-range corrections in periodic boundaries using Lean 4, with proofs about the mathematical functions and numerical agreement with NIST SRSW benchmarks.

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  • Benchmarking Energy Calculations Using Formal Proofs cond-mat.stat-mech · 2025-05-14 · conditional · none · ref 2

    LeanLJ computes Lennard-Jones energies and long-range corrections in periodic boundaries using Lean 4, with proofs about the mathematical functions and numerical agreement with NIST SRSW benchmarks.