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Delta-like ligand 3-targeted radioimmunotherapy for neuroendocrine prostate cancer.
Korsen JA, Gutierrez JA, Tully KM, Carter LM, Samuels ZV, Khitrov S, Poirier JT, Rudin CM, Chen Y, Morris MJ, Bodei L, Pillarsetty N, Lewis JS. Korsen JA, et al. Proc Natl Acad Sci U S A. 2022 Jul 5;119(27):e2203820119. doi: 10.1073/pnas.2203820119. Epub 2022 Jun 27. Proc Natl Acad Sci U S A. 2022. PMID: 35759660 Free PMC article.
Mechanistic Insight and Intersystem Crossing Dynamics of the C((3)P) + H(2)CO/D(2)CO Reaction.
Mandal M, Rajak K, Maiti B. Mandal M, et al. J Phys Chem A. 2023 Jun 1;127(21):4660-4669. doi: 10.1021/acs.jpca.3c01480. Epub 2023 May 20. J Phys Chem A. 2023. PMID: 37209129
The reaction of atomic carbon, C((3)P), with H(2)CO has been investigated using the direct dynamics trajectory surface hopping (DDTSH) method with Tully's fewest switches algorithm. ...From the trajectory calculations, we observed that CH(2) + CO and H + HCCO are th …
The reaction of atomic carbon, C((3)P), with H(2)CO has been investigated using the direct dynamics trajectory surface hopping (DDTSH …
Semiclassical Dynamics on Machine-Learned Coupled Multireference Potential Energy Surfaces: Application to the Photodissociation of the Simplest Criegee Intermediate.
Sit MK, Das S, Samanta K. Sit MK, et al. J Phys Chem A. 2023 Mar 16;127(10):2376-2387. doi: 10.1021/acs.jpca.2c07229. Epub 2023 Mar 1. J Phys Chem A. 2023. PMID: 36856588
We use these machine-learned PESs and nonadiabatic couplings to simulate excited-state molecular dynamics based on Tully's fewest-switches surface hopping method (FSSH). FSSH is a semiclassical method in which nuclei move on the PESs due to the electrons according to the l …
We use these machine-learned PESs and nonadiabatic couplings to simulate excited-state molecular dynamics based on Tully's fewest-swi …
18 results