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1 Shanghai Collaborative Innovation Center of Agri-Seeds/School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai, China 2 Department of Animal Breeding and Reproduction, College of ...

Catharina Capitain and Melanie Schüßler from the Faculty of Geosciences at the University of Tübingen, Tübingen, Germany describe a novel approach using matrix-matched semiquantification to ...

Cocrystals offer significant potential across various industries, especially pharmaceuticals, by addressing the poor solubility of new drug candidates. However, traditional experimental screening for ...

After troubleshooting, I discovered that enabling vdw_method requires explicitly declaring dft_functional. While I believe this mandatory requirement is unnecessary ...

Hefei National Laboratory for Physical Sciences at the Microscale, Department of Chemical Physics, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science ...

Intermolecular interaction energies have been calculated by symmetry-adapted perturbation theory based on density functional theory monomer properties (DFT-SAPT) employing response functions from time ...