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Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide C… #1547

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May 31, 2021

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…hemistry in Complex Environments

Jun-Bo Lu, David C. Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu,
Vassiliki-Alexandra Glezakou,* Roger Rousseau,* and Jun Li*
J. Chem. Theory Comput. XXXX, XXX, XXX?XXX
https://doi.org/10.1021/acs.jctc.1c00026

…hemistry in Complex Environments

Jun-Bo Lu, David C. Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu,
Vassiliki-Alexandra Glezakou,* Roger Rousseau,* and Jun Li*
J. Chem. Theory Comput. XXXX, XXX, XXX?XXX
https://doi.org/10.1021/acs.jctc.1c00026
@juerghutter juerghutter merged commit 1e5aa65 into cp2k:master May 31, 2021
abussy pushed a commit to abussy/cp2k that referenced this pull request Jul 28, 2021
…hemistry in Complex Environments (cp2k#1547)

Jun-Bo Lu, David C. Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu,
Vassiliki-Alexandra Glezakou,* Roger Rousseau,* and Jun Li*
J. Chem. Theory Comput. XXXX, XXX, XXX?XXX
https://doi.org/10.1021/acs.jctc.1c00026
mtaillefumier pushed a commit to mtaillefumier/cp2k that referenced this pull request Nov 16, 2021
…hemistry in Complex Environments (cp2k#1547)

Jun-Bo Lu, David C. Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu,
Vassiliki-Alexandra Glezakou,* Roger Rousseau,* and Jun Li*
J. Chem. Theory Comput. XXXX, XXX, XXX?XXX
https://doi.org/10.1021/acs.jctc.1c00026
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