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Journal of physical chemistry A

Journal of physical chemistry A
紙雑誌
American Chemical Society<Z53-B63>
国立国会図書館全国の図書館
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Unraveling the Spin-State Energetics of FeN4 Complexes with Ab Initio Methods

Unraveling the Spin-State Energetics of FeN4 Complexes with Ab Initio Methods
デジタル記事
2023-09-14The Journal of Physical Chemistry A127 36p.7544-7556
全国の図書館
  • 掲載誌（ISSN）10895639

Unraveling the Spin-State Energetics of FeN4 Complexes with Ab Initio Methods

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デジタル記事
Phung, Quan Manh, Nam, Ho Ngoc, Saitow, MasaakiACS Publications2023-09-14The Journal of Physical Chemistry A127 36p.7544-7556
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Photodestruction Action Spectroscopy of Silver Cluster Anions, AgN^– (N = 3–19), with a Linear Ion Trap: Observation of Bound Excited States above the Photodetachment Threshold

Photodestruction Action Spectroscopy of Silver Cluster Anions, AgN^– (N = 3–19), with a Linear Ion Trap: Observation of Bound Excited States above the Photodetachment Threshold
紙記事
河村, 駿, 山口, 雅人, 河野, 聖, 荒川, 雅, 安池, 智一, 堀尾, 琢哉, 寺嵜, 亨American Chemical Society (ACS)2023-07-12The Journal of Physical Chemistry A127 29p.6063-6070
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Molecular Structures and Vibrational Spectra of <i>trans</i>- and <i>cis</i>-Polyacetylene and Their Oligoenes Revisited Using Density Functional Theory Calculations

Molecular Structures and Vibrational Spectra of <i>trans</i>- and <i>cis</i>-Polyacetylene and Their Oligoenes Revisited Using Density Functional Theory Calculations
デジタル記事
2023-06-13The Journal of Physical Chemistry A127 25p.5344-5359
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  • 掲載誌（ISSN）10895639

Enhancement of Halogen Bond Strength by Intramolecular H-Bonds

Enhancement of Halogen Bond Strength by Intramolecular H-Bonds
デジタル記事
2023-05-20The Journal of Physical Chemistry A127 21p.4695-4703
全国の図書館
  • 掲載誌（ISSN）10895639

A Structure-Based Gaussian Expansion for Quantum Reaction Dynamics in Molecules: Application to Hydrogen Tunneling in Malonaldehyde

A Structure-Based Gaussian Expansion for Quantum Reaction Dynamics in Molecules: Application to Hydrogen Tunneling in Malonaldehyde
デジタル記事
2023-05-02The Journal of Physical Chemistry A127 18p.4152-4165
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  • 掲載誌（ISSN）10895639

Nuclear Magnetic Resonance Analysis of Hydrothermal Reactions of Ethyl- and Octylamine in Sub- and Supercritical Water

Nuclear Magnetic Resonance Analysis of Hydrothermal Reactions of Ethyl- and Octylamine in Sub- and Supercritical Water
デジタル記事
2023-04-24The Journal of Physical Chemistry A127 17p.3848-3861
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  • 掲載誌（ISSN）10895639

Size-Dependent Geometrical Structures of Platinum Oxide Cluster Cations Studied by Ion Mobility–Mass Spectrometry

Size-Dependent Geometrical Structures of Platinum Oxide Cluster Cations Studied by Ion Mobility–Mass Spectrometry
デジタル記事
2023-04-14The Journal of Physical Chemistry A127 16p.3570-3576
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  • 掲載誌（ISSN）10895639

Electronic Interaction between Aromatic Chromophores in Dibenzo-Crown Ether Complexes with Alkali Metal Ions Investigated via Cold Gas-Phase Spectroscopy

Electronic Interaction between Aromatic Chromophores in Dibenzo-Crown Ether Complexes with Alkali Metal Ions Investigated via Cold Gas-Phase Spectroscopy
デジタル記事
2023-04-04The Journal of Physical Chemistry A127 14p.3210-3220
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  • 掲載誌（ISSN）10895639

Mechanism of Fenton Oxidation of Levoglucosan in Water

Mechanism of Fenton Oxidation of Levoglucosan in Water
デジタル記事
2023-03-23The Journal of Physical Chemistry A127 13p.2975-2985
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  • 掲載誌（ISSN）10895639

Density Functional Study on the Photopolymerization of Styrene Using Dinuclear Ru–Pd and Ir–Pd Complexes with Naphthyl-Substituted Ligands

Density Functional Study on the Photopolymerization of Styrene Using Dinuclear Ru–Pd and Ir–Pd Complexes with Naphthyl-Substituted Ligands
デジタル記事
2023-03-21The Journal of Physical Chemistry A127 12p.2810-2818
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  • 掲載誌（ISSN）10895639

Distortion Correction of Low-Energy Photoelectron Spectra of Liquids Using Spectroscopic Data for Solvated Electrons

Distortion Correction of Low-Energy Photoelectron Spectra of Liquids Using Spectroscopic Data for Solvated Electrons
デジタル記事
2023-03-14The Journal of Physical Chemistry A127 11p.2440-2452
全国の図書館
  • 掲載誌（ISSN）10895639

Microhydration of the Pyrrole Cation (Py<sup>+</sup>) Revealed by IR Spectroscopy: Ionization-Induced Rearrangement of the Hydrogen-Bonded Network of Py<sup>+</sup>(H<sub>2</sub>O)<sub>2</sub>

Microhydration of the Pyrrole Cation (Py<sup>+</sup>) Revealed by IR Spectroscopy: Ionization-Induced Rearrangement of the Hydrogen-Bonded Network of Py<sup>+</sup>(H<sub>2</sub>O)<sub>2</sub>
デジタル記事
2023-03-10The Journal of Physical Chemistry A127 11p.2523-2535
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  • 掲載誌（ISSN）10895639

Theoretical Study of Valence Shell Excitation by Electron Impact in CCl<sub>4</sub>

Theoretical Study of Valence Shell Excitation by Electron Impact in CCl<sub>4</sub>
デジタル記事
2023-02-21The Journal of Physical Chemistry A127 8p.1866-1873
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  • 掲載誌（ISSN）10895639

Raman Spectroscopic and DFT Study of COA-Cl and Its Analogues

Raman Spectroscopic and DFT Study of COA-Cl and Its Analogues
デジタル記事
2023-02-21The Journal of Physical Chemistry A127 8p.1849-1856
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  • 掲載誌（ISSN）10895639

Theoretical Study on Thermal Structural Fluctuation Effects of Intermolecular Configurations on Singlet Fission in Pentacene Crystal Models

Theoretical Study on Thermal Structural Fluctuation Effects of Intermolecular Configurations on Singlet Fission in Pentacene Crystal Models
デジタル記事
2023-02-17The Journal of Physical Chemistry A127 8p.1883-1893
全国の図書館
  • 掲載誌（ISSN）10895639

Direct Elucidation of the Vibrationally Averaged Structure of Benzene: A Path Integral Molecular Dynamics Study

Direct Elucidation of the Vibrationally Averaged Structure of Benzene: A Path Integral Molecular Dynamics Study
デジタル記事
2023-01-23The Journal of Physical Chemistry A127 4p.894-901
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  • 掲載誌（ISSN）10895639

Curvature Effect in Polydimethylsiloxane Interaction with CO<sub>2</sub>. Insights from Theory

Curvature Effect in Polydimethylsiloxane Interaction with CO<sub>2</sub>. Insights from Theory
デジタル記事
2023-01-20The Journal of Physical Chemistry A127 4p.876-885
全国の図書館
  • 掲載誌（ISSN）10895639

New Approach To Understanding the Experimental <sup>133</sup>Cs NMR Chemical Shift of Clay Minerals via Machine Learning and DFT-GIPAW Calculations

New Approach To Understanding the Experimental <sup>133</sup>Cs NMR Chemical Shift of Clay Minerals via Machine Learning and DFT-GIPAW Calculations
デジタル記事
2023-01-19The Journal of Physical Chemistry A127 4p.973-986
全国の図書館
  • 掲載誌（ISSN）10895639