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(2025, January) The Journal of Chemical Physics Vol. 162 (4). AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical PhysicsISSN0021-9606
Year2025 (January)Volume162
Issue<   4   >
PublisherAIP Publishing
Mindat Ref. ID17943283Long-form Identifiermindat:1:5:17943283:5
GUID0
Full Reference(2025, January) The Journal of Chemical Physics Vol. 162 (4). AIP Publishing
Plain Text(2025, January) The Journal of Chemical Physics Vol. 162 (4). AIP Publishing
In(2025) The Journal of Chemical Physics Vol. 162. AIP Publishing

Contains

Birgisson, Benedikt O., Dohn, Asmus Ougaard, JĂłnsson, Hannes, Levi, Gianluca (2025) Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0241573
Sahrmann, Patrick G., Voth, Gregory A. (2025) Entropy-based methods for formulating bottom-up ultra-coarse-grained models. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0244427
Trabelsi, Tarek, El-Tohamy, Maha F., Mostafa, Gamal A. E., Francisco, Joseph S. (2025) Interstellar spectroscopic detection of HC(S)NC and DC(S)NC. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0246410
Herman, Tyler J., Sunahori, Fumie X., Smith, Tony C., Clouthier, Dennis J. (2025) Hydroxysilylene (HSi–OH) in the gas phase. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0249684
Pengmei, Zihan, Lorpaiboon, Chatipat, Guo, Spencer C., Weare, Jonathan, Dinner, Aaron R. (2025) Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0244453
Krug, Simon León, Khan, Danish, von Lilienfeld, O. Anatole (2025) Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for Δ-machine learning. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0241872
Garner, Scott M., Upadhyay, Shiv, Li, Xiaosong, Hammes-Schiffer, Sharon (2025) Time-resolved vibronic spectra with nuclear–electronic orbital time-dependent configuration interaction. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0243394
Illobre, Pablo Grobas, Lafiosca, Piero, Bonatti, Luca, Giovannini, Tommaso, Cappelli, Chiara (2025) Mixed atomistic–implicit quantum/classical approach to molecular nanoplasmonics. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245629
Sawdon, J., Piggot, T. J., Essex, J. W. (2025) How well do empirical molecular mechanics force fields model the cholesterol condensing effect? The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0238409
Farias Romeu, João Gabriel, Gole, James L., Dixon, David A. (2025) Excited electronic states of Na2 and K2: The potential for long-lived “reservoir” states leading to collision induced population inversions. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0239463
Ghorai, Sagar, Dhondi, Pradeep, Govind Rajan, Ananth (2025) Molecular dynamics simulations of functionalized hBN nanopores in water: Ab initio force field and implications for water desalination. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0242541
Ai, Ruibo, Luo, Wang, Liu, Xiaojun, Zhang, Tao, Sang, Jiqun, Zhang, Yaolin (2025) A NiAl-layered double hydroxides memristor with artificial synapse function and its Boolean logic applications. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0248908
Sudhindra, Shalmali, Sahu, Niroj Kumar, D’Aguanno, Bruno (2025) Molecular dynamics investigation of structural, thermal, and dynamic properties of maghemite through thermal cycling. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0248660
Gavazzoni, Cristina, Lazzari, Davi, da Silva Ramos, Iara Patrícia, Brito, Carolina (2025) Optimizing oil–water separation using fractal surfaces. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0247599
Santis, Garrett D., Xantheas, Sotiris S. (2025) Extending Badger's rule. I. The relationship between energy and structure in hydrogen bonds. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0244238
Merentsov, A. I., Píš, I., Shkvarin, A. S., Postnikov, M. S., Yarmoshenko, Y. M., Shkvarina, E. G., Titov, A. A., Onischenko, A. O., Titov, A. N. (2025) Isovalent substitution-induced pseudodoping in ZrxTi1−xSe2 transition metal dichalcogenides. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245563
Vermeeren, Pascal, Bickelhaupt, F. Matthias (2025) Nature and stability of the chemical bond in H3C–XHn (XHn = CH3, NH2, OH, F, Cl, Br, I). The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245218
Urbina, Andres S., Slipchenko, Lyudmila V. (2025) Rationalizing protein–ligand interactions via the effective fragment potential method and structural data from classical molecular dynamics. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0247878
Meher, Debendra, Avula, Nikhil V. S., Balasubramanian, Sundaram (2025) Slowly quenched, high pressure glassy B2O3 at DFT accuracy. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0240030
Shulenberger, Katherine E., Sherman, Skylar J., Jilek, Madison R., Keller, Helena R., Pellows, Lauren M., Dukovic, Gordana (2025) Erratum: “Exciton and biexciton transient absorption spectra of CdSe quantum dots with varying diameters” [J. Chem. Phys. 160, 014708 (2024)]. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0254103
Hoshino, Ryotaro, Tanimura, Yoshitaka (2025) Analysis of intramolecular modes of liquid water in two-dimensional spectroscopy: A classical hierarchical equations of motion approach. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245564
Apolinario, S. W. S. (2025) Structural evolution of particle configurations: Zero-temperature phases under increasing confinement. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0251112
Chen, Jingqi, Lee, Joonho, Dou, Wenjie (2025) How to correct Ehrenfest nonadiabatic dynamics in open quantum systems: Ehrenfest plus random force (E + σ) dynamics. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0245114
Duan, J., Ding, G., Cai, S. L., Dai, L. H., Ma, E., Jiang, M. Q. (2025) Multiple and transforming vibrational identities of atoms in amorphous solids. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0250753
Jayasekara, Thusitha S., Miller, Cadence, Marasinghe, Dinesh, Carrillo, Michael J., Swann, Mitchell, Tubergen, Michael J., Kleiner, Isabelle, Gurusinghe, Ranil M. (2025) Exploring low barrier quantum tunneling and structural planarity in 3-methylstyrene conformers: Insights from microwave spectroscopy. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0238251
Chen, Jiakuan, Chakraborty, Dipayan, Ončák, Milan, Ptasinska, Sylwia, Denifl, Stephan (2025) Low-energy electron driven reactions in 2-bromo-5-nitrothiazole. The Journal of Chemical Physics, 162 (4). doi:10.1063/5.0246241

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