| Year |
Citation |
Score |
| 2015 |
Zeng Q, Liang W. Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation. The Journal of Chemical Physics. 143: 134104. PMID 26450289 DOI: 10.1063/1.4931734 |
0.358 |
|
| 2013 |
Chapman CT, Liang W, Li X. Solvent effects on intramolecular charge transfer dynamics in a fullerene derivative. The Journal of Physical Chemistry. A. 117: 2687-91. PMID 23488727 DOI: 10.1021/Jp312525J |
0.76 |
|
| 2012 |
Ding F, Chapman CT, Liang W, Li X. Mechanisms of bridge-mediated electron transfer: a TDDFT electronic dynamics study. The Journal of Chemical Physics. 137: 22A512. PMID 23249049 DOI: 10.1063/1.4738959 |
0.762 |
|
| 2012 |
Liang W, Chapman CT, Ding F, Li X. Modeling ultrafast solvated electronic dynamics using time-dependent density functional theory and polarizable continuum model. The Journal of Physical Chemistry. A. 116: 1884-90. PMID 22277083 DOI: 10.1021/Jp2123899 |
0.788 |
|
| 2012 |
Moss CL, Liang W, Li X, Ture?ek F. The early life of a peptide cation-radical. Ground and excited-state trajectories of electron-based peptide dissociations during the first 330 femtoseconds. Journal of the American Society For Mass Spectrometry. 23: 446-59. PMID 22187160 DOI: 10.1007/S13361-011-0283-9 |
0.6 |
|
| 2012 |
Nguyen PD, Ding F, Fischer SA, Liang W, Li X. Solvated first-principles excited-state charge-transfer dynamics with time-dependent polarizable continuum model and solvent dielectric relaxation Journal of Physical Chemistry Letters. 3: 2898-2904. DOI: 10.1021/Jz301042F |
0.72 |
|
| 2012 |
Peng B, Liang W, White MA, Gamelin DR, Li X. Theoretical evaluation of spin-dependent auger de-excitation in Mn 2+-doped semiconductor nanocrystals Journal of Physical Chemistry C. 116: 11223-11231. DOI: 10.1021/Jp2118828 |
0.49 |
|
| 2011 |
Liang W, Fischer SA, Frisch MJ, Li X. Energy-Specific Linear Response TDHF/TDDFT for Calculating High-Energy Excited States. Journal of Chemical Theory and Computation. 7: 3540-7. PMID 26598252 DOI: 10.1021/Ct200485X |
0.651 |
|
| 2011 |
Chapman CT, Liang W, Li X. Ultrafast Coherent Electron-Hole Separation Dynamics in a Fullerene Derivative. The Journal of Physical Chemistry Letters. 2: 1189-92. PMID 26295324 DOI: 10.1021/Jz200339Y |
0.776 |
|
| 2011 |
Ding F, Liang W, Chapman CT, Isborn CM, Li X. On the gauge invariance of nonperturbative electronic dynamics using the time-dependent Hartree-Fock and time-dependent Kohn-Sham. The Journal of Chemical Physics. 135: 164101. PMID 22047222 DOI: 10.1063/1.3655675 |
0.766 |
|
| 2011 |
Liang W, Li X, Dalton LR, Robinson BH, Eichinger BE. Solvents level dipole moments. The Journal of Physical Chemistry. B. 115: 12566-70. PMID 21923185 DOI: 10.1021/Jp2069896 |
0.516 |
|
| 2011 |
Liang W, Chapman CT, Li X. Efficient first-principles electronic dynamics. The Journal of Chemical Physics. 134: 184102. PMID 21568492 DOI: 10.1063/1.3589144 |
0.766 |
|
| 2011 |
Bale DH, Eichinger BE, Liang W, Li X, Dalton LR, Robinson BH, Reid PJ. Dielectric dependence of the first molecular hyperpolarizability for electro-optic chromophores. The Journal of Physical Chemistry. B. 115: 3505-13. PMID 21410147 DOI: 10.1021/Jp109870Y |
0.429 |
|
| 2011 |
Chapman CT, Liang W, Li X. Open-system electronic dynamics and thermalized electronic structure. The Journal of Chemical Physics. 134: 024118. PMID 21241091 DOI: 10.1063/1.3526027 |
0.763 |
|
| 2010 |
Liang W, Chapman CT, Frisch MJ, Li X. Geometry Optimization with Multilayer Methods Using Least-Squares Minimization. Journal of Chemical Theory and Computation. 6: 3352-7. PMID 26617089 DOI: 10.1021/Ct100453X |
0.706 |
|
| 2010 |
Liang W, Wang H, Hung J, Li X, Frisch MJ. Eigenspace Update for Molecular Geometry Optimization in Nonredundant Internal Coordinate. Journal of Chemical Theory and Computation. 6: 2034-9. PMID 26615932 DOI: 10.1021/Ct100214X |
0.484 |
|
| 2010 |
Liang W, Isborn CM, Lindsay A, Li X, Smith SM, Levis RJ. Time-dependent density functional theory calculations of Ehrenfest dynamics of laser controlled dissociation of NO+: pulse length and sequential multiple single-photon processes. The Journal of Physical Chemistry. A. 114: 6201-6. PMID 20450207 DOI: 10.1021/Jp102013B |
0.688 |
|
| 2010 |
Hung J, Liang W, Luo J, Shi Z, Jen AKY, Li X. Rational design using Dewar's rules for enhancing the first hyperpolarizability of nonlinear optical chromophores Journal of Physical Chemistry C. 114: 22284-22288. DOI: 10.1021/Jp107803Q |
0.48 |
|
| 2010 |
Shi Z, Liang W, Luo J, Huang S, Polishak BM, Li X, Younkin TR, Block BA, Jen AKY. Tuning the kinetics and energetics of Diels-Alder cycloaddition reactions to improve poling efficiency and thermal stability of high-temperature cross-linked electro-optic polymers Chemistry of Materials. 22: 5601-5608. DOI: 10.1021/Cm101815B |
0.383 |
|
| 2009 |
Liang W, Isborn CM, Li X. Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search. The Journal of Chemical Physics. 131: 204101. PMID 19947669 DOI: 10.1063/1.3266564 |
0.727 |
|
| 2009 |
Li X, Moss CL, Liang W, Feng Y. Car-Parrinello density matrix search with a first principles fictitious electron mass method for electronic wave function optimization. The Journal of Chemical Physics. 130: 234115. PMID 19548719 DOI: 10.1063/1.3155082 |
0.485 |
|
| 2009 |
Liang W, Isborn CM, Li X. Laser-controlled dissociation of C2H2(2+): Ehrenfest dynamics using time-dependent density functional theory. The Journal of Physical Chemistry. A. 113: 3463-9. PMID 19354313 DOI: 10.1021/Jp811431U |
0.693 |
|
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