Yirong Mo
Orcid: 0000-0002-2994-7754
According to our database1,
Yirong Mo
authored at least 16 papers
between 1999 and 2023.
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Bibliography
2023
The strength and selectivity of perfluorinated nano-hoops and buckybowls for anion binding and the nature of anion-π interactions.
J. Comput. Chem., January, 2023
2019
J. Comput. Chem., 2019
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions.
J. Comput. Chem., 2019
2018
Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature?
J. Comput. Chem., 2018
2016
Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD).
J. Comput. Chem., 2016
The origins of the directionality of noncovalent intermolecular interactions<sup>#</sup>.
J. Comput. Chem., 2016
2012
Reply to comment on the paper "An efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory".
J. Comput. Chem., 2012
2009
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase.
J. Comput. Chem., 2009
An efficient algorithm for energy gradients and orbital optimization in valence bond theory.
J. Comput. Chem., 2009
2007
How resonance assists hydrogen bonding interactions: An energy decomposition analysis.
J. Comput. Chem., 2007
2005
J. Comput. Chem., 2005
2000
Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water.
J. Comput. Chem., 2000
1999
General method for symmetry orbitals and tensors in electronic structure calculations.
J. Comput. Chem., 1999