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   https://doi.org/10.1002/eap.2517  

   Yang, Sen; Liu, Weixing; Guo, Lulu; Wang, Chengzhang; Deng, Meifeng; Peng, Ziyang; Liu, Lingli (March 2022, Ecological Applications)
2. Structural stability and the low‐lying singlet and triplet states of BN ‐ n ‐acenes, n  = 1–7

   https://doi.org/10.1002/jcc.27038  

   Milanez, Bruno D.; dos Santos, Gustavo M.; Pinheiro, Max; Ueno, Leonardo T.; Ferrão, Luiz F.; Aquino, Adelia J.; Lischka, Hans; Machado, Francisco B. (March 2023, Journal of Computational Chemistry)
3. I n ‐N‐O ut: A hierarchical framework to understand and predict soil carbon storage and nitrogen recycling

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   Francesca Cotrufo, M.; Lavallee, Jocelyn M.; Zhang, Yao; Hansen, Paige M.; Paustian, Keith H.; Schipanski, Meagan; Wallenstein, Matthew D. (October 2021, Global Change Biology)
4. Revisiting the N ( N  + 1)/2‐site s ‐type Gaussian charge model for permutationally invariant polynomial fitting of global molecular tensor surfaces

   https://doi.org/10.1002/qua.27102  

   Kudratov, Sophia A.; Kaledin, Martina; Kaledin, Alexey L. (June 2023, International Journal of Quantum Chemistry)

   Abstract The exact expressions for the dipole, quadrupole, and octupoles of a collection ofNpoint charges involve summations of corresponding tensors over theNsites weighted by their charge magnitudes. When the point charges are atoms (in a molecule) theN‐site formula is an approximation, and one must integrate over the electron density to recover the exact multipoles. In the present work we revisit theN(N + 1)/2‐site point charge density model of Hall (Chem. Phys. Lett.6, 501, 1973) for the purpose of fitting ab initio derived multipole moment hypersurfaces using permutationally invariant polynomials (PIP). We examine new approaches in PIP‐fitting procedures for the dipole, quadrupole, octupole moments, and polarizability tensor surfaces (DMS, QMS, OMS and PTS, respectively) for a non‐polar CCl₄and a polar CHCl₃and show that compared to the primitiveN‐site model theN(N + 1)/2‐site model appreciably improves the relative RMSE of the DMS and does much more substantially so, by an order of magnitude, for the corresponding ones of QMS and OMS. Training datasets are obtained by sampling potential energies up to 18 000 cm⁻¹above the global minima, generated by molecular dynamics simulations at the DFT B3LYP/aug‐cc‐pVDZ level of theory. 

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5. Grassland sensitivity to drought is related to functional composition across E ast A sia and N orth A merica

   https://doi.org/10.1002/ecy.4220  

   Song, Lin; Griffin‐Nolan, Robert J.; Muraina, Taofeek O.; Chen, Jiaqi; Te, Niwu; Shi, Yuan; Whitney, Kenneth D.; Zhang, Bingchuan; Yu, Qiang; Smith, Melinda D.; et al (February 2024, Ecology)

   Abstract Plant traits can be helpful for understanding grassland ecosystem responses to climate extremes, such as severe drought. However, intercontinental comparisons of how drought affects plant functional traits and ecosystem functioning are rare. The Extreme Drought in Grasslands experiment (EDGE) was established across the major grassland types in East Asia and North America (six sites on each continent) to measure variability in grassland ecosystem sensitivity to extreme, prolonged drought. At all sites, we quantified community‐weighted mean functional composition and functional diversity of two leaf economic traits, specific leaf area and leaf nitrogen content, in response to drought. We found that experimental drought significantly increased community‐weighted means of specific leaf area and leaf nitrogen content at all North American sites and at the wetter East Asian sites, but drought decreased community‐weighted means of these traits at moderate to dry East Asian sites. Drought significantly decreased functional richness but increased functional evenness and dispersion at most East Asian and North American sites. Ecosystem drought sensitivity (percentage reduction in aboveground net primary productivity) positively correlated with community‐weighted means of specific leaf area and leaf nitrogen content and negatively correlated with functional diversity (i.e., richness) on an intercontinental scale, but results differed within regions. These findings highlight both broad generalities but also unique responses to drought of community‐weighted trait means as well as their functional diversity across grassland ecosystems. 

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