| Year |
Citation |
Score |
| 2024 |
Tao Z, Bian X, Wu Y, Rawlinson J, Littlejohn RG, Subotnik JE. Total angular momentum conservation in Ehrenfest dynamics with a truncated basis of adiabatic states. The Journal of Chemical Physics. 160. PMID 38310474 DOI: 10.1063/5.0177778 |
0.407 |
|
| 2023 |
Athavale V, Bian X, Tao Z, Wu Y, Qiu T, Rawlinson J, Littlejohn RG, Subotnik JE. Surface hopping, electron translation factors, electron rotation factors, momentum conservation, and size consistency. The Journal of Chemical Physics. 159. PMID 37728203 DOI: 10.1063/5.0160965 |
0.386 |
|
| 2023 |
Tao Z, Qiu T, Subotnik JE. Symmetric Post-Transition State Bifurcation Reactions with Berry Pseudomagnetic Fields. The Journal of Physical Chemistry Letters. 14: 770-778. PMID 36652556 DOI: 10.1021/acs.jpclett.2c02668 |
0.322 |
|
| 2022 |
Wildman A, Tao Z, Zhao L, Hammes-Schiffer S, Li X. Correction to "Solvated Nuclear-Electronic Orbital Structure and Dynamics". Journal of Chemical Theory and Computation. PMID 36475657 DOI: 10.1021/acs.jctc.2c01120 |
0.553 |
|
| 2022 |
Pettersson Rimgard B, Tao Z, Parada GA, Cotter LF, Hammes-Schiffer S, Mayer JM, Hammarström L. Proton-coupled energy transfer in molecular triads. Science (New York, N.Y.). abq5173. PMID 35862490 DOI: 10.1126/science.abq5173 |
0.507 |
|
| 2022 |
Xu J, Zhou R, Tao Z, Malbon C, Blum V, Hammes-Schiffer S, Kanai Y. Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations. The Journal of Chemical Physics. 156: 224111. PMID 35705422 DOI: 10.1063/5.0088427 |
0.636 |
|
| 2022 |
Fetherolf JH, Pavošević F, Tao Z, Hammes-Schiffer S. Multicomponent Orbital-Optimized Perturbation Theory with Density Fitting: Anharmonic Zero-Point Energies in Protonated Water Clusters. The Journal of Physical Chemistry Letters. 13: 5563-5570. PMID 35696537 DOI: 10.1021/acs.jpclett.2c01357 |
0.624 |
|
| 2022 |
Li TE, Tao Z, Hammes-Schiffer S. Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings. Journal of Chemical Theory and Computation. PMID 35420037 DOI: 10.1021/acs.jctc.2c00096 |
0.649 |
|
| 2022 |
Wildman A, Tao Z, Zhao L, Hammes-Schiffer S, Li X. Solvated Nuclear-Electronic Orbital Structure and Dynamics. Journal of Chemical Theory and Computation. PMID 35179376 DOI: 10.1021/acs.jctc.1c01285 |
0.659 |
|
| 2021 |
Tao Z, Yu Q, Roy S, Hammes-Schiffer S. Direct Dynamics with Nuclear-Electronic Orbital Density Functional Theory. Accounts of Chemical Research. PMID 34726895 DOI: 10.1021/acs.accounts.1c00516 |
0.648 |
|
| 2021 |
Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Tao Z, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522 |
0.494 |
|
| 2021 |
Tao Z, Roy S, Schneider PE, Pavošević F, Hammes-Schiffer S. Analytical Gradients for Nuclear-Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies. Journal of Chemical Theory and Computation. PMID 34260237 DOI: 10.1021/acs.jctc.1c00454 |
0.77 |
|
| 2021 |
Schneider PE, Tao Z, Pavošević F, Epifanovsky E, Feng X, Hammes-Schiffer S. Transition states, reaction paths, and thermochemistry using the nuclear-electronic orbital analytic Hessian. The Journal of Chemical Physics. 154: 054108. PMID 33557565 DOI: 10.1063/5.0033540 |
0.745 |
|
| 2021 |
Pavošević F, Tao Z, Hammes-Schiffer S. Multicomponent Coupled Cluster Singles and Doubles with Density Fitting: Protonated Water Tetramers with Quantized Protons. The Journal of Physical Chemistry Letters. 1631-1637. PMID 33555187 DOI: 10.1021/acs.jpclett.0c03771 |
0.609 |
|
| 2020 |
Zhao L, Wildman A, Tao Z, Schneider P, Hammes-Schiffer S, Li X. Nuclear-electronic orbital Ehrenfest dynamics. The Journal of Chemical Physics. 153: 224111. PMID 33317298 DOI: 10.1063/5.0031019 |
0.752 |
|
| 2020 |
Pavosevic F, Tao Z, Culpitt T, Zhao L, Li X, Hammes-Schiffer S. Frequency and Time Domain Nuclear-Electronic Orbital Equation-of-Motion Coupled Cluster Methods: Combination Bands and Electronic-Protonic Double Excitations. The Journal of Physical Chemistry Letters. PMID 32658486 DOI: 10.1021/Acs.Jpclett.0C01891 |
0.743 |
|
| 2020 |
Zhao L, Tao Z, Pavosevic F, Wildman A, Hammes-Schiffer S, Li X. Real-Time Time-Dependent Nuclear-Electronic Orbital Approach: Dynamics Beyond the Born-Oppenheimer Approximation. The Journal of Physical Chemistry Letters. PMID 32251589 DOI: 10.1021/Acs.Jpclett.0C00701 |
0.672 |
|
| 2019 |
Tao Z, Yang Y, Hammes-Schiffer S. Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium. The Journal of Chemical Physics. 151: 124102. PMID 31575164 DOI: 10.1063/1.5119124 |
0.634 |
|
| 2019 |
Culpitt T, Yang Y, Pavošević F, Tao Z, Hammes-Schiffer S. Enhancing the applicability of multicomponent time-dependent density functional theory. The Journal of Chemical Physics. 150: 201101. PMID 31153172 DOI: 10.1063/1.5099093 |
0.755 |
|
| 2018 |
Yang Y, Culpitt T, Tao Z, Hammes-Schiffer S. Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory. The Journal of Chemical Physics. 149: 084105. PMID 30193501 DOI: 10.1063/1.5040353 |
0.731 |
|
| 2016 |
Li QQ, Hao JJ, Zhang Z, Hsu I, Liu Y, Tao Z, Lewi K, Metwalli AR, Agarwal PK. Histone deacetylase inhibitor-induced cell death in bladder cancer is associated with chromatin modification and modifying protein expression: A proteomic approach. International Journal of Oncology. PMID 27082124 DOI: 10.3892/ijo.2016.3478 |
0.418 |
|
| 2016 |
Li QQ, Hao JJ, Zhang Z, Hsu I, Liu Y, Tao Z, Lewi K, Metwalli AR, Agarwal PK. Histone deacetylase inhibitor-induced cell death in bladder cancer is associated with chromatin modification and modifying protein expression: A proteomic approach. International Journal of Oncology. PMID 27082124 DOI: 10.3892/ijo.2016.3478 |
0.418 |
|
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