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Extending non-adiabatic rate theory to strong electronic couplings in the Marcus inverted regime
Extending non-adiabatic rate theory to strong electronic couplings in the Marcus inverted regime
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Extending non-adiabatic rate theory to strong electronic couplings in the Marcus inverted regime

Fay, Thomas P.

The Journal of chemical physics, 2024-07, Vol.161 (1) [Periódico revisado por pares]

Melville: American Institute of Physics

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2
Hydrogen–iodine scattering. II. Rovibronic analysis and collisional dynamics
Hydrogen–iodine scattering. II. Rovibronic analysis and collisional dynamics
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Hydrogen–iodine scattering. II. Rovibronic analysis and collisional dynamics

Weike, Nicole ; Eisfeld, Wolfgang ; Dunseath, Kevin M. ; Viel, Alexandra

The Journal of chemical physics, 2024-07, Vol.161 (1), p.014302-1-18 [Periódico revisado por pares]

Melville: American Institute of Physics

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3
Quadruple bonds in MoC: Accurate calculations and precise measurement of the dissociation energy of low-lying states of MoC
Quadruple bonds in MoC: Accurate calculations and precise measurement of the dissociation energy of low-lying states of MoC
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Quadruple bonds in MoC: Accurate calculations and precise measurement of the dissociation energy of low-lying states of MoC

Androutsopoulos, Alexandros ; Tzeli, Demeter ; Tomchak, Kimberly H. ; Morse, Michael D.

The Journal of chemical physics, 2024-06, Vol.160 (23) [Periódico revisado por pares]

Melville: American Institute of Physics

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4
Impact of interfacial curvature on molecular properties of aqueous interfaces
Impact of interfacial curvature on molecular properties of aqueous interfaces
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Impact of interfacial curvature on molecular properties of aqueous interfaces

de la Puente, M. ; Laage, D.

The Journal of chemical physics, 2024-06, Vol.160 (23) [Periódico revisado por pares]

Melville: American Institute of Physics

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5
Maximization of linear independence of basis function products
Maximization of linear independence of basis function products
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Maximization of linear independence of basis function products

Sizov, Georgii N. ; Lazeran, Vincent ; Balada Gaggioli, Llorenç ; Staroverov, Viktor N.

The Journal of chemical physics, 2024-06, Vol.160 (23) [Periódico revisado por pares]

Melville: American Institute of Physics

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6
Synergistic effects of copper and oxygen vacancies in enhancing the efficacy of partially crystalline CuMnxOy catalyst for ozone decomposition
Synergistic effects of copper and oxygen vacancies in enhancing the efficacy of partially crystalline CuMnxOy catalyst for ozone decomposition
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Synergistic effects of copper and oxygen vacancies in enhancing the efficacy of partially crystalline CuMnxOy catalyst for ozone decomposition

Song, Yuna ; Shin, Min Jae ; Kwon, Byung Chan ; So, Jungseob ; Kim, Young Jin ; Kang, Dohyung ; Park, No-Kuk ; Kim, Minkyu

The Journal of chemical physics, 2024-06, Vol.160 (23) [Periódico revisado por pares]

Melville: American Institute of Physics

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7
Contributions beyond direct random-phase approximation in the binding energy of solid ethane, ethylene, and acetylene
Contributions beyond direct random-phase approximation in the binding energy of solid ethane, ethylene, and acetylene
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Contributions beyond direct random-phase approximation in the binding energy of solid ethane, ethylene, and acetylene

Pham, Khanh Ngoc ; Modrzejewski, Marcin ; Klimeš, Jiří

The Journal of chemical physics, 2024-06, Vol.160 (22) [Periódico revisado por pares]

Melville: American Institute of Physics

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8
Exciton–photocarrier interference in mixed lead-halide-perovskite nanocrystals
Exciton–photocarrier interference in mixed lead-halide-perovskite nanocrystals
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Exciton–photocarrier interference in mixed lead-halide-perovskite nanocrystals

Rojas-Gatjens, Esteban ; Akkerman, Quinten A. ; Manna, Liberato ; Srimath Kandada, Ajay Ram ; Silva-Acuña, Carlos

The Journal of chemical physics, 2024-06, Vol.160 (22) [Periódico revisado por pares]

Melville: American Institute of Physics

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9
Photoabsorption cross section measurements of acetylene in the nonionizing region using the double-ion chamber method
Photoabsorption cross section measurements of acetylene in the nonionizing region using the double-ion chamber method
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Photoabsorption cross section measurements of acetylene in the nonionizing region using the double-ion chamber method

Kim, Hyun

The Journal of chemical physics, 2024-06, Vol.160 (22) [Periódico revisado por pares]

Melville: American Institute of Physics

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10
Measuring line tension: Thermodynamic integration during detachment of a molecular dynamics droplet
Measuring line tension: Thermodynamic integration during detachment of a molecular dynamics droplet
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Measuring line tension: Thermodynamic integration during detachment of a molecular dynamics droplet

Shintaku, Minori ; Oga, Haruki ; Kusudo, Hiroki ; Smith, Edward R. ; Omori, Takeshi ; Yamaguchi, Yasutaka

The Journal of chemical physics, 2024-06, Vol.160 (22) [Periódico revisado por pares]

Melville: American Institute of Physics

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