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Buckybowls as gas adsorbents: binding of gaseous pollutants and their electric-field induced release
Royal Society of Chemistry | 2020| -
Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals
National licenceAmerican Institute of Physics | 2005| -
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO–MP2 theory
National licenceRoyal Society of Chemistry | 2008| -
Instability of the Al4 2- “All-Metal Aromatic” Ion and Its Implications
American Chemical Society | 2008| -
Rigorous integral screening for electron correlation methods
National licenceAmerican Institute of Physics | 2005| -
Charge-transfer and the hydrogen bond: Spectroscopic and structural implications from electronic structure calculations
National licenceRoyal Society of Chemistry | 2011| -
Linear-scaling atomic orbital-based second-order Mo&slash;ller–Plesset perturbation theory by rigorous integral screening criteria
National licenceAmerican Institute of Physics | 2009| -
Efficient distance-including integral screening in linear-scaling Mo&slash;ller-Plesset perturbation theory
National licenceAmerican Institute of Physics | 2013| -
Linear-scaling symmetry-adapted perturbation theory with scaled dispersion
American Institute of Physics | 2013| -
Impacts of Copper Position on the Electronic Structure of [Au25‑xCu x (SH)18]− Nanoclusters
American Chemical Society | 2015| -
Piezoelectric Hydrogen Bonding: Computational Screening for a Design Rationale
American Chemical Society | 2014| -
A Linear-Scaling MP2 Method for Large Molecules by Rigorous Integral-Screening Criteria
Online Contents | 2010|
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