General atomic and molecular electronic structure system

• Toward Compact Selected Configuration Interaction Wave Functions with Quantum Monte Carlo─A Case Study of C2

  2023 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies

  7

  citations
• Functionalized electrodes embedded in nanopores: read‐out enhancement?

  2022 Chemistry - An Asian Journal article Engineering Nanopore and Nanochannel Transport Studies Open access

  1

  citations
• Chemical bonding with plane waves

  2022 Elsevier eBooks book-chapter Physics and Astronomy Advanced Chemical Physics Studies

  9

  citations
• Quantum chemical calculations of IR spectra of heparin disaccharide subunits

  2022 Computational and Theoretical Chemistry article Physics and Astronomy Spectroscopy and Quantum Chemical Studies

  0

  citations
• Formation of phosphorus monoxide through the $$\mathbf {P}(^{4}S)+\mathbf {O}_{\mathbf {2}}(^{3}\Sigma ^{-})\rightarrow \mathbf {O}(^{3}P)+\mathbf {PO}(^{2}\Pi )$$ reaction

  2022 Journal of Molecular Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Multi-center decomposition of molecular densities: A mathematical perspective

  2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  11

  citations
• Local vs global approaches to treat two equivalent methyl internal rotations and 14N nuclear quadrupole coupling of 2,5-dimethylpyrrole

  2021 The Journal of Chemical Physics article Chemistry Molecular Spectroscopy and Structure

  18

  citations
• Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein

  2021 Communications Biology article Neuroscience Photoreceptor and optogenetics research Open access

  46

  citations
• 14N nuclear quadrupole coupling and methyl internal rotation in 3-methylpyrrole investigated by microwave spectroscopy

  2020 Journal of Molecular Spectroscopy article Chemistry Molecular Spectroscopy and Structure Open access

  14

  citations

9 results