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Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface.
Dutta J, Naskar K, Adhikari S, Meyer J, Somers MF. Dutta J, et al. J Chem Phys. 2022 Nov 21;157(19):194112. doi: 10.1063/5.0109549. J Chem Phys. 2022. PMID: 36414467
The effect of surface mode vibrations on the reactive scattering of D(2), initialized in the ground rovibrational state (v = 0, j = 0), from a Cu(111) surface is investigated for different surface temperature situations. We adopt a time and temperature dependent effective …
The effect of surface mode vibrations on the reactive scattering of D(2), initialized in the ground rovibrational state (v = 0, j = 0 …
Beyond Born-Oppenheimer based diabatic surfaces of 1,3,5-C6H3F3+ to generate the photoelectron spectra using time-dependent discrete variable representation approach.
Mukherjee S, Ravi S, Dutta J, Sardar S, Adhikari S. Mukherjee S, et al. Among authors: dutta j. Phys Chem Chem Phys. 2022 Jan 26;24(4):2185-2202. doi: 10.1039/d1cp04733g. Phys Chem Chem Phys. 2022. PMID: 35006221
We had formulated explicit expressions of adiabatic to diabatic transformation (ADT) equations [S. Mukherjee, J. Dutta, B. Mukherjee, S. Sardar and S. Adhikari, J. Chem. Phys., 2019, 150, 064308] for the same system forming six state sub-Hilbert space and at …
We had formulated explicit expressions of adiabatic to diabatic transformation (ADT) equations [S. Mukherjee, J. Dutta, B. Muk …
Host-microbe multiomic profiling identifies distinct COVID-19 immune dysregulation in solid organ transplant recipients.
Pickering H, Schaenman J, Phan HV, Maguire C, Tsitsiklis A, Rouphael N, Higuita NIA, Atkinson MA, Brakenridge S, Fung M, Messer W; IMPACC Network; Salehi-Rad R, Altman MC, Becker PM, Bosinger SE, Eckalbar W, Hoch A, Doni Jayavelu N, Kim-Schulze S, Jenkins M, Kleinstein SH, Krammer F, Maecker HT, Ozonoff A, Diray-Arce J, Shaw A, Baden L, Levy O, Reed EF, Langelier CR. Pickering H, et al. Nat Commun. 2025 Jan 10;16(1):586. doi: 10.1038/s41467-025-55823-z. Nat Commun. 2025. PMID: 39794319 Free PMC article.
406 results