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Volume 159, Issue 13
7 October 2023
Issue Cover
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ISSN 0021-9606
EISSN 1089-7690

ARTICLES

Theoretical Methods and Algorithms
The role of structural heterogeneity in the homodimerization of transmembrane proteins
Ayan Majumder; John E. Straub
J. Chem. Phys. 159, 134101 (2023) https://doi.org/10.1063/5.0159801
View articletitled, The role of structural heterogeneity in the homodimerization of transmembrane proteins
Supplementary Material
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Atoms, Molecules, and Clusters
Ab initio quantum scattering calculations and a new potential energy surface for the HCl(X1Σ+)–O2(⁠X3Σg−⁠) system: Collision-induced line shape parameters for O2-perturbed R(0) 0–0 line in H35Cl
Artur Olejnik; Hubert Jóźwiak; Maciej Gancewski; Ernesto Quintas-Sánchez; Richard Dawes; Piotr Wcisło
J. Chem. Phys. 159, 134301 (2023) https://doi.org/10.1063/5.0169968
View articletitled, <em>Ab initio</em> quantum scattering calculations and a new potential energy surface for the HCl(<em>X</em><sup>1</sup>Σ<sup>+</sup>)–O<sub>2</sub>(<span class="inline-formula no-formula-id">⁠<span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mrow><mi>X</mi></mrow><mrow><mn>3</mn></mrow></msup><msubsup xmlns=""><mrow><mi mathvariant="normal">Σ</mi></mrow><mrow><mi>g</mi></mrow><mrow><mo>−</mo></mrow></msubsup></math>⁠</span>) system: Collision-induced line shape parameters for O<sub>2</sub>-perturbed R(0) 0–0 line in H<sup>35</sup>Cl
Supplementary Material
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Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses
Jiarui Ma; Aran Insausti; Arsh S. Hazrah; Yunjie Xu
J. Chem. Phys. 159, 134302 (2023) https://doi.org/10.1063/5.0166935
View articletitled, Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses
Supplementary Material
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Liquids, Glasses, and Crystals
Luminescence and mechanoluminescence of Ba4Si6O16:Eu2+, RE phosphors
Alexis Duval; Yan Suffren; Mourad Benabdesselam; Patrick Houizot; Tanguy Rouxel
J. Chem. Phys. 159, 134501 (2023) https://doi.org/10.1063/5.0167222
View articletitled, Luminescence and mechanoluminescence of Ba<sub>4</sub>Si<sub>6</sub>O<sub>16</sub>:Eu<sup>2+</sup>, <em>RE</em> phosphors
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Biological Molecules and Networks
Sub-THz acoustic excitation of protein motion
Petra Papež; Franci Merzel; Matej Praprotnik
J. Chem. Phys. 159, 135101 (2023) https://doi.org/10.1063/5.0163801
View articletitled, Sub-THz acoustic excitation of protein motion
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Synergy of semiempirical models and machine learning in computational chemistry
DeePMD-kit v2: A software package for deep potential models
Molecular dynamics simulations of electrochemical interfaces
  • Online ISSN 1089-7690
  • Print ISSN 0021-9606

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