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Unveiling hidden dynamic correlations in CASSCF correlation energies by Hartree–Fock nodes
Unveiling hidden dynamic correlations in CASSCF correlation energies by Hartree–Fock nodes
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Unveiling hidden dynamic correlations in CASSCF correlation energies by Hartree–Fock nodes

Šulka, Martin ; Šulková, Katarína ; Dubecký, Matúš

The Journal of chemical physics, 2024-09, Vol.161 (11) [Periódico revisado por pares]

Melville: American Institute of Physics

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2
Film swelling and contaminant adsorption at polymer coated surfaces: Insights from density functional theory
Film swelling and contaminant adsorption at polymer coated surfaces: Insights from density functional theory
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Film swelling and contaminant adsorption at polymer coated surfaces: Insights from density functional theory

Frink, Laura J. Douglas ; van Swol, Frank ; Malanoski, Anthony P. ; Petsev, Dimiter N.

The Journal of chemical physics, 2024-09, Vol.161 (11) [Periódico revisado por pares]

Melville: American Institute of Physics

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3
The physical chemistry of solar fuels catalysis
The physical chemistry of solar fuels catalysis
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The physical chemistry of solar fuels catalysis

Mulfort, Karen L. ; Concepcion, Javier J. ; Dietzek-Ivanšić, Benjamin ; Ishitani, Osamu ; Yano, Junko

The Journal of chemical physics, 2024-09, Vol.161 (11) [Periódico revisado por pares]

Melville: American Institute of Physics

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4
Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure
Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure
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Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure

Leung, Helen O. ; Marshall, Mark D.

The Journal of chemical physics, 2024-09, Vol.161 (10) [Periódico revisado por pares]

Melville: American Institute of Physics

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5
Colloid thermophoresis in surfactant solutions: Probing colloid–solvent interactions through microscale experiments
Colloid thermophoresis in surfactant solutions: Probing colloid–solvent interactions through microscale experiments
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Colloid thermophoresis in surfactant solutions: Probing colloid–solvent interactions through microscale experiments

Pu, Di ; Panahi, Amirreza ; Natale, Giovanniantonio ; Benneker, Anne M.

The Journal of chemical physics, 2024-09, Vol.161 (10) [Periódico revisado por pares]

Melville: American Institute of Physics

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6
Liquid water radiolysis induced by secondary electrons generated from MeV-energy carbon ions
Liquid water radiolysis induced by secondary electrons generated from MeV-energy carbon ions
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Liquid water radiolysis induced by secondary electrons generated from MeV-energy carbon ions

Tsuchida, Hidetsugu ; Tezuka, Tomoya ; Kai, Takeshi ; Matsuya, Yusuke ; Majima, Takuya ; Saito, Manabu

The Journal of chemical physics, 2024-09, Vol.161 (10) [Periódico revisado por pares]

Melville: American Institute of Physics

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7
Electrostatic energy-driven contact electrification mechanism from the ReaxFF molecular dynamics perspective
Electrostatic energy-driven contact electrification mechanism from the ReaxFF molecular dynamics perspective
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Electrostatic energy-driven contact electrification mechanism from the ReaxFF molecular dynamics perspective

Ratanaporn, Sart ; Bunriw, Weeraya ; Harnchana, Viyada ; Banlusan, Kiettipong

The Journal of chemical physics, 2024-09, Vol.161 (9) [Periódico revisado por pares]

Melville: American Institute of Physics

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8
Diffusion of proteins in crowded solutions studied by docking-based modeling
Diffusion of proteins in crowded solutions studied by docking-based modeling
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Diffusion of proteins in crowded solutions studied by docking-based modeling

Singh, Amar ; Kundrotas, Petras J. ; Vakser, Ilya A.

The Journal of chemical physics, 2024-09, Vol.161 (9) [Periódico revisado por pares]

Melville: American Institute of Physics

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9
Pure rotational and rovibrational spectroscopy of cyclopropylamine in the far-infrared region: –NH2 torsion
Pure rotational and rovibrational spectroscopy of cyclopropylamine in the far-infrared region: –NH2 torsion
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Pure rotational and rovibrational spectroscopy of cyclopropylamine in the far-infrared region: –NH2 torsion

Liang, Yue ; Fábri, Csaba ; Su, Junjie ; Billinghurst, Brant ; Zhao, Jianbao ; Chen, Ziqiu ; Liu, Bowen

The Journal of chemical physics, 2024-09, Vol.161 (9) [Periódico revisado por pares]

Melville: American Institute of Physics

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10
Beyond the “spine of hydration”: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structures
Beyond the “spine of hydration”: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structures
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Beyond the “spine of hydration”: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structures

Perets, Ethan A. ; Konstantinovsky, Daniel ; Santiago, Ty ; Videla, Pablo E. ; Tremblay, Matthew ; Velarde, Luis ; Batista, Victor S. ; Hammes-Schiffer, Sharon ; Yan, Elsa C. Y.

The Journal of chemical physics, 2024-09, Vol.161 (9) [Periódico revisado por pares]

Melville: American Institute of Physics

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