The QTP family of consistent functionals and potentials in Kohn-Sham density functional theory Y Jin, RJ Bartlett The Journal of Chemical Physics 145 (3), 2016 | 86 | 2016 |
Coupled cluster geometries and energies of C20 carbon cluster isomers–A new benchmark study Y Jin, A Perera, VF Lotrich, RJ Bartlett Chemical Physics Letters 629, 76-80, 2015 | 41 | 2015 |
Does the ionization potential condition employed in QTP functionals mitigate the self-interaction error? DS Ranasinghe, JT Margraf, Y Jin, RJ Bartlett The Journal of chemical physics 146 (3), 2017 | 34 | 2017 |
Accurate computation of X-ray absorption spectra with ionization potential optimized global hybrid functional Y Jin, RJ Bartlett The Journal of Chemical Physics 149 (6), 2018 | 26 | 2018 |
Predictive coupled-cluster isomer orderings for some SinCm (m, n≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks JN Byrd, JJ Lutz, Y Jin, DS Ranasinghe, JA Montgomery, A Perera, ... The Journal of Chemical Physics 145 (2), 2016 | 17 | 2016 |
Theoretical analysis on alkaline hydrolysis mechanisms of N-(2-methoxyphenyl) benzamide Y Jin, Y Zhu, M Tang Computational and Theoretical Chemistry 963 (2-3), 268-272, 2011 | 13 | 2011 |
Proteomics-based vaccine targets annotation and design of subunit and mRNA-based vaccines for Monkeypox virus (MPXV) against the recent outbreak Y Jin, A Fayyaz, A Liaqat, A Khan, A Alshammari, Y Wang, RX Gu, ... Computers in Biology and Medicine 159, 106893, 2023 | 9 | 2023 |
Ranking breast cancer drugs and biomarkers identification using machine learning and pharmacogenomics A Mehmood, S Nawab, Y Jin, H Hassan, AC Kaushik, DQ Wei ACS Pharmacology & Translational Science 6 (3), 399-409, 2023 | 9 | 2023 |
Spectroscopic analysis of diphosphatriazolate anion (P2N3−) by coupled-cluster methods as a step toward N5− Y Jin, A Perera, RJ Bartlett Chemical Physics Letters 640, 68-71, 2015 | 9 | 2015 |
Mutational impacts on the N and C terminal domains of the MUC5B protein: a transcriptomics and structural biology study A Mehmood, S Nawab, Y Jin, AC Kaushik, DQ Wei ACS omega 8 (4), 3726-3735, 2023 | 3 | 2023 |
Perturbation improved natural linear-scaled coupled-cluster method and its application to conformational analysis Y Jin, RJ Bartlett The Journal of Physical Chemistry A 123 (1), 371-381, 2018 | 3 | 2018 |
Valence and charge-transfer optical properties for some SinCm (m, n≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy JJ Lutz, XF Duan, DS Ranasinghe, Y Jin, JT Margraf, A Perera, ... The Journal of Chemical Physics 148 (17), 2018 | 2 | 2018 |
Structural and molecular investigation of the impact of S30L and D88N substitutions in G9R protein on coupling with E4R from Monkeypox virus (MPXV) Y Jin, SJ Asad Gillani, F Batool, FM Alshabrmi, EA Alatawi, Y Waheed, ... Journal of Biomolecular Structure and Dynamics, 1-12, 2023 | | 2023 |