| Year |
Citation |
Score |
| 2023 |
Peng J, Hu D, Liu H, Shi Q, Bao P, Lan Z. Studies of nonadiabatic dynamics in the singlet fission processes of pentacene dimer via tensor network method. The Journal of Chemical Physics. 159. PMID 38063228 DOI: 10.1063/5.0174416 |
0.309 |
|
| 2023 |
Ceriotti M, Jensen L, Manolopoulos DE, Martinez T, Reichman DR, Sciortino F, Sherrill CD, Shi Q, Vega C, Wang LS, Weiss EA, Zhu X, Stein J, Lian T. 2021 JCP Emerging Investigator Special Collection. The Journal of Chemical Physics. 158: 060401. PMID 36792492 DOI: 10.1063/5.0143234 |
0.429 |
|
| 2022 |
Xu M, Yan Y, Shi Q, Ankerhold J, Stockburger JT. Taming Quantum Noise for Efficient Low Temperature Simulations of Open Quantum Systems. Physical Review Letters. 129: 230601. PMID 36563205 DOI: 10.1103/PhysRevLett.129.230601 |
0.444 |
|
| 2022 |
Dan X, Xu M, Yan Y, Shi Q. Generalized master equation for charge transport in a molecular junction: Exact memory kernels and their high order expansion. The Journal of Chemical Physics. 156: 134114. PMID 35395901 DOI: 10.1063/5.0086663 |
0.414 |
|
| 2021 |
Ceriotti M, Jensen L, Manolopoulos DE, Martinez TJ, Michaelides A, Ogilvie JP, Reichman DR, Shi Q, Straub JE, Vega C, Wang LS, Weiss E, Zhu X, Stein JL, Lian T. 2020 JCP Emerging Investigator Special Collection. The Journal of Chemical Physics. 155: 230401. PMID 34937385 DOI: 10.1063/5.0078934 |
0.429 |
|
| 2021 |
Yan Y, Xu M, Li T, Shi Q. Efficient propagation of the hierarchical equations of motion using the Tucker and hierarchical Tucker tensors. The Journal of Chemical Physics. 154: 194104. PMID 34240893 DOI: 10.1063/5.0050720 |
0.404 |
|
| 2021 |
Liu Y, Yan Y, Xing T, Shi Q. Understanding the Large Kinetic Isotope Effect of Hydrogen Tunneling in Condensed Phases by Using Double-Well Model Systems. The Journal of Physical Chemistry. B. PMID 34033714 DOI: 10.1021/acs.jpcb.1c02851 |
0.307 |
|
| 2020 |
Ediger MD, Jensen L, Manolopoulos DE, Martinez TJ, Michaelides A, Reichman DR, Sherrill CD, Shi Q, Straub JE, Vega C, Wang LS, Brigham EC, Lian T. JCP Emerging Investigator Special Collection 2019. The Journal of Chemical Physics. 153: 110402. PMID 32962387 DOI: 10.1063/5.0021946 |
0.429 |
|
| 2020 |
Yan Y, Liu Y, Xing T, Shi Q. Theoretical study of excitation energy transfer and nonlinear spectroscopy of photosynthetic light‐harvesting complexes using the nonperturbative reduced dynamics method Wiley Interdisciplinary Reviews: Computational Molecular Science. DOI: 10.1002/Wcms.1498 |
0.343 |
|
| 2019 |
Yan Y, Xu M, Liu Y, Shi Q. Theoretical study of charge carrier transport in organic molecular crystals using the Nakajima-Zwanzig-Mori generalized master equation. The Journal of Chemical Physics. 150: 234101. PMID 31228885 DOI: 10.1063/1.5096214 |
0.483 |
|
| 2019 |
Xu M, Liu Y, Song K, Shi Q. A non-perturbative approach to simulate heterogeneous electron transfer dynamics: Effective mode treatment of the continuum electronic states. The Journal of Chemical Physics. 150: 044109. PMID 30709251 DOI: 10.1063/1.5046891 |
0.494 |
|
| 2019 |
Li X, Liu J, Lin K, Zhang Y, Zhang Y, Zheng R, Shi Q, Guo Y, Lu Z. Toward Unraveling the Puzzle of Sum Frequency Generation Spectra at Interface of Aqueous Methanol Solution: Effects of Concentration-Dependent Hyperpolarizability Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.9B04044 |
0.337 |
|
| 2018 |
Xu Y, Bao P, Song K, Shi Q. Theoretical study of proton coupled electron transfer reaction in the light state of the AppA BLUF photoreceptor. Journal of Computational Chemistry. PMID 30341953 DOI: 10.1002/Jcc.25561 |
0.34 |
|
| 2018 |
Shi Q, Xu Y, Yan Y, Xu M. Efficient propagation of the hierarchical equations of motion using the matrix product state method. The Journal of Chemical Physics. 148: 174102. PMID 29739219 DOI: 10.1063/1.5026753 |
0.505 |
|
| 2018 |
Xu M, Yan Y, Liu Y, Shi Q. Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model. The Journal of Chemical Physics. 148: 164101. PMID 29716231 DOI: 10.1063/1.5022761 |
0.493 |
|
| 2018 |
Leng X, Yan Y, Zhu R, Song K, Weng Y, Shi Q. Simulation of the Two-Dimensional Electronic Spectroscopy and Energy Transfer Dynamics of Light-Harvesting Complex II at Ambient Temperature. The Journal of Physical Chemistry. B. PMID 29613797 DOI: 10.1021/Acs.Jpcb.8B00674 |
0.361 |
|
| 2018 |
Xu Y, Song K, Shi Q. Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model. The Journal of Chemical Physics. 148: 102322. PMID 29544288 DOI: 10.1063/1.4990515 |
0.42 |
|
| 2018 |
Yan Y, Song L, Shi Q. Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells. The Journal of Chemical Physics. 148: 084109. PMID 29495761 DOI: 10.1063/1.5017866 |
0.314 |
|
| 2018 |
Zheng RH, Wei WM, Xu M, Shi Q. Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect. Physical Chemistry Chemical Physics : Pccp. PMID 29473923 DOI: 10.1039/C7Cp08473K |
0.486 |
|
| 2018 |
Liu Y, Yan Y, Xu M, Song K, Shi Q. Exact generator and its high order expansions in time-convolutionless generalized master equation: Applications to spin-boson model and excitation energy transfer† Chinese Journal of Chemical Physics. 31: 575-583. DOI: 10.1063/1674-0068/31/Cjcp1806146 |
0.41 |
|
| 2017 |
Xu M, Song L, Song K, Shi Q. Convergence of high order perturbative expansions in open system quantum dynamics. The Journal of Chemical Physics. 146: 064102. PMID 28201895 DOI: 10.1063/1.4974926 |
0.532 |
|
| 2017 |
Yao D, Wang Y, Huo C, Wu Y, Zhang M, Li L, Shi Q, Kiyota H, Shi X. Study on the metabolites of isoalantolactone in vivo and in vitro by ultra performance liquid chromatography combined with Triple TOF mass spectrometry. Food Chemistry. 214: 328-38. PMID 27507482 DOI: 10.1016/j.foodchem.2016.07.100 |
0.362 |
|
| 2017 |
Song K, Shi Q. Theoretical study of photoinduced proton coupled electron transfer reaction using the non-perturbative hierarchical equations of motion method Journal of Chemical Physics. 146: 184108. DOI: 10.1063/1.4982928 |
0.423 |
|
| 2017 |
Li W, Zhu L, Shi Q, Ren J, Peng Q, Shuai Z. Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application Chemical Physics Letters. 683: 507-514. DOI: 10.1016/J.Cplett.2017.03.077 |
0.357 |
|
| 2017 |
Leng X, Yue S, Weng Y, Song K, Shi Q. Effects of finite laser pulse width on two-dimensional electronic spectroscopy Chemical Physics Letters. 667: 79-86. DOI: 10.1016/J.Cplett.2016.11.030 |
0.372 |
|
| 2016 |
Welsch R, Song K, Shi Q, Althorpe SC, Miller TF. Non-equilibrium dynamics from RPMD and CMD. The Journal of Chemical Physics. 145: 204118. PMID 27908103 DOI: 10.1063/1.4967958 |
0.409 |
|
| 2016 |
Song K, Bai S, Shi Q. The Effect of Pulse Shaping on Observing Coherent Energy Transfer in Single Light Harvesting Complexes. The Journal of Physical Chemistry. B. PMID 27749066 DOI: 10.1021/Acs.Jpcb.6B07025 |
0.322 |
|
| 2016 |
Song K, Song L, Shi Q. An alternative realization of the exact non-Markovian stochastic Schrödinger equation. The Journal of Chemical Physics. 144: 224105. PMID 27305994 DOI: 10.1063/1.4953244 |
0.388 |
|
| 2016 |
Zheng R, Wei W, Sun Y, Song K, Shi Q. Theoretical study of vibrational energy transfer of free OH groups at the water-air interface. The Journal of Chemical Physics. 144: 144701. PMID 27083739 DOI: 10.1063/1.4945424 |
0.347 |
|
| 2016 |
Xie W, Xu M, Bai S, Shi Q. Mixed Quantum-Classical Study of Non-Adiabatic Curve Crossing in Condensed Phases. The Journal of Physical Chemistry. A. PMID 26840040 DOI: 10.1021/Acs.Jpca.5B11695 |
0.539 |
|
| 2015 |
Song L, Shi Q. Calculation of correlated initial state in the hierarchical equations of motion method using an imaginary time path integral approach. The Journal of Chemical Physics. 143: 194106. PMID 26590526 DOI: 10.1063/1.4935799 |
0.392 |
|
| 2015 |
Song K, Bai S, Shi Q. A time domain two-particle approximation to calculate the absorption and circular dichroism line shapes of molecular aggregates. The Journal of Chemical Physics. 143: 064109. PMID 26277129 DOI: 10.1063/1.4928584 |
0.373 |
|
| 2015 |
Bai S, Song K, Shi Q. Effects of Different Quantum Coherence on the Pump-Probe Polarization Anisotropy of Photosynthetic Light-Harvesting Complexes: A Computational Study. The Journal of Physical Chemistry Letters. 6: 1954-60. PMID 26263276 DOI: 10.1021/Acs.Jpclett.5B00690 |
0.398 |
|
| 2015 |
Zheng RH, Wei WM, Shi Q. A theoretical study of sum-frequency generation for chiral solutions near electronic resonance. Physical Chemistry Chemical Physics : Pccp. 17: 20296-300. PMID 26190400 DOI: 10.1039/C5Cp02136G |
0.316 |
|
| 2015 |
Wang X, Liao Q, Li H, Bai S, Wu Y, Lu X, Hu H, Shi Q, Fu H. Near-infrared lasing from small-molecule organic hemispheres. Journal of the American Chemical Society. PMID 26151538 DOI: 10.1021/Jacs.5B03051 |
0.304 |
|
| 2015 |
Song L, Shi Q. A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations. The Journal of Chemical Physics. 142: 174103. PMID 25956086 DOI: 10.1063/1.4919061 |
0.342 |
|
| 2015 |
Zheng RH, Wei WM, Shi Q. Theoretical investigation of quadrupole contributions to surface sum-frequency vibrational spectroscopy. Physical Chemistry Chemical Physics : Pccp. 17: 9068-73. PMID 25754559 DOI: 10.1039/C4Cp05347H |
0.344 |
|
| 2015 |
Jing YY, Song K, Bai SM, Shi Q. Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method Chinese Journal of Chemical Physics. 28: 431-439. DOI: 10.1063/1674-0068/28/Cjcp1506126 |
0.382 |
|
| 2014 |
Bai S, Xie W, Shi Q. A new trajectory branching approximation to propagate the mixed quantum-classical Liouville equation. The Journal of Physical Chemistry. A. 118: 9262-71. PMID 24964189 DOI: 10.1021/Jp503522G |
0.401 |
|
| 2014 |
Xie W, Xu Y, Zhu L, Shi Q. Mixed quantum classical calculation of proton transfer reaction rates: from deep tunneling to over the barrier regimes. The Journal of Chemical Physics. 140: 174105. PMID 24811623 DOI: 10.1063/1.4873135 |
0.439 |
|
| 2014 |
Liu H, Zhu L, Bai S, Shi Q. Reduced quantum dynamics with arbitrary bath spectral densities: hierarchical equations of motion based on several different bath decomposition schemes. The Journal of Chemical Physics. 140: 134106. PMID 24712779 DOI: 10.1063/1.4870035 |
0.441 |
|
| 2014 |
Zheng RH, Wei WM, Liu H, Jing YY, Wang BY, Shi Q. Theoretical study of sum-frequency vibrational spectroscopy on limonene surface. The Journal of Chemical Physics. 140: 104702. PMID 24628191 DOI: 10.1063/1.4867575 |
0.326 |
|
| 2014 |
Bai S, Xie W, Zhu L, Shi Q. Calculation of absorption spectra involving multiple excited states: approximate methods based on the mixed quantum classical Liouville equation. The Journal of Chemical Physics. 140: 084105. PMID 24588146 DOI: 10.1063/1.4866367 |
0.468 |
|
| 2013 |
Xie W, Bai S, Zhu L, Shi Q. Calculation of electron transfer rates using mixed quantum classical approaches: nonadiabatic limit and beyond. The Journal of Physical Chemistry. A. 117: 6196-204. PMID 23534444 DOI: 10.1021/Jp400462F |
0.461 |
|
| 2013 |
Jing Y, Chen L, Bai S, Shi Q. Equilibrium excited state and emission spectra of molecular aggregates from the hierarchical equations of motion approach. The Journal of Chemical Physics. 138: 045101. PMID 23387623 DOI: 10.1063/1.4775843 |
0.387 |
|
| 2013 |
Zhu L, Liu H, Shi Q. A new method to account for the difference between classical and quantum baths in quantum dissipative dynamics New Journal of Physics. 15: 095020. DOI: 10.1088/1367-2630/15/9/095020 |
0.454 |
|
| 2013 |
Zheng RH, Wei WM, Jing YY, Liu H, Shi Q. Theoretical study of doubly resonant sum-frequency vibrational spectroscopy for 1,1′-bi-2-naphthol molecules on water surface Journal of Physical Chemistry C. 117: 11117-11123. DOI: 10.1021/Jp400818D |
0.361 |
|
| 2013 |
Shuai Z, Liu W, Liang W, Shi Q, Chen H. Theoretical study of the low-lying electronic excited states for molecular aggregates Science China Chemistry. 56: 1258-1262. DOI: 10.1007/S11426-013-4906-9 |
0.351 |
|
| 2012 |
Zhu L, Liu H, Xie W, Shi Q. Explicit system-bath correlation calculated using the hierarchical equations of motion method. The Journal of Chemical Physics. 137: 194106. PMID 23181293 DOI: 10.1063/1.4766358 |
0.416 |
|
| 2012 |
Sun Y, Zheng R, Shi Q. Theoretical Study of Raman Spectra of Methanol in Aqueous Solutions: Non-Coincident Effect of the CO Stretch Journal of Physical Chemistry B. 116: 4543-4551. PMID 22443859 DOI: 10.1021/Jp300178V |
0.396 |
|
| 2012 |
Jing Y, Zheng R, Li HX, Shi Q. Theoretical study of the electronic-vibrational coupling in the Q(y) states of the photosynthetic reaction center in purple bacteria. The Journal of Physical Chemistry. B. 116: 1164-71. PMID 22188530 DOI: 10.1021/Jp209575Q |
0.433 |
|
| 2012 |
Zheng RH, Wei WM, Sun YY, Shi Q. Theoretical study on resonance Raman scattering for C 60 molecules in benzene solutions Vibrational Spectroscopy. 58: 133-138. DOI: 10.1016/J.Vibspec.2011.10.010 |
0.318 |
|
| 2011 |
Shi Q, Zhu L, Chen L. Quantum rate dynamics for proton transfer reaction in a model system: effect of the rate promoting vibrational mode. The Journal of Chemical Physics. 135: 044505. PMID 21806136 DOI: 10.1063/1.3611050 |
0.415 |
|
| 2011 |
Wang L, Beljonne D, Chen L, Shi Q. Mixed quantum-classical simulations of charge transport in organic materials: numerical benchmark of the Su-Schrieffer-Heeger model. The Journal of Chemical Physics. 134: 244116. PMID 21721621 DOI: 10.1063/1.3604561 |
0.414 |
|
| 2011 |
Chen L, Zheng R, Jing Y, Shi Q. Simulation of the two-dimensional electronic spectra of the Fenna-Matthews-Olson complex using the hierarchical equations of motion method. The Journal of Chemical Physics. 134: 194508. PMID 21599074 DOI: 10.1063/1.3589982 |
0.366 |
|
| 2011 |
Nan G, Shi Q, Shuai Z, Li Z. Influences of molecular packing on the charge mobility of organic semiconductors: from quantum charge transfer rate theory beyond the first-order perturbation. Physical Chemistry Chemical Physics : Pccp. 13: 9736-46. PMID 21503350 DOI: 10.1039/C1Cp00001B |
0.387 |
|
| 2011 |
Zheng RH, Wei WM, Sun YY, Shi Q. Theoretical study of doubly resonant IR-UV hyper-Raman scattering Journal of Physical Chemistry A. 115: 2231-2237. PMID 21351786 DOI: 10.1021/Jp112397W |
0.325 |
|
| 2011 |
Zheng R, Sun Y, Shi Q. Theoretical study of the infrared and Raman line shapes of liquid methanol. Physical Chemistry Chemical Physics. 13: 2027-2035. PMID 21063605 DOI: 10.1039/C0Cp01145B |
0.377 |
|
| 2011 |
Wei WM, Zheng RH, Jing YY, Liu YT, Hu JC, Ye Y, Shi Q. Theoretical study on raman spectra of aqueous peroxynitric acid Chinese Journal of Chemical Physics. 24: 625-630. DOI: 10.1088/1674-0068/24/05/625-630 |
0.337 |
|
| 2011 |
Zheng RH, Wei WM, Li HX, Shi Q. Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: The second-order Herzberg-Teller effect Chemical Physics Letters. 512: 269-272. DOI: 10.1016/J.Cplett.2011.07.033 |
0.352 |
|
| 2011 |
Zheng R, Jing Y, Chen L, Shi Q. Theory of proton coupled electron transfer reactions: Assessing the Born–Oppenheimer approximation for the proton motion using an analytically solvable model Chemical Physics. 379: 39-45. DOI: 10.1016/J.Chemphys.2010.11.001 |
0.359 |
|
| 2010 |
Wang L, Li Q, Shuai Z, Chen L, Shi Q. Multiscale study of charge mobility of organic semiconductor with dynamic disorders. Physical Chemistry Chemical Physics : Pccp. 12: 3309-14. PMID 20237724 DOI: 10.1039/B913183C |
0.325 |
|
| 2010 |
Wang D, Chen L, Zheng R, Wang L, Shi Q. Communications: A nonperturbative quantum master equation approach to charge carrier transport in organic molecular crystals. The Journal of Chemical Physics. 132: 081101. PMID 20192281 DOI: 10.1063/1.3328107 |
0.452 |
|
| 2010 |
Chen L, Zheng R, Shi Q, Yan Y. Two-dimensional electronic spectra from the hierarchical equations of motion method: Application to model dimers. The Journal of Chemical Physics. 132: 024505. PMID 20095685 DOI: 10.1063/1.3293039 |
0.434 |
|
| 2009 |
Xu RX, Tian BL, Xu J, Shi Q, Yan Y. Hierarchical quantum master equation with semiclassical Drude dissipation. The Journal of Chemical Physics. 131: 214111. PMID 19968341 DOI: 10.1063/1.3268922 |
0.392 |
|
| 2009 |
Chen L, Zheng R, Shi Q, Yan Y. Optical line shapes of molecular aggregates: hierarchical equations of motion method. The Journal of Chemical Physics. 131: 094502. PMID 19739856 DOI: 10.1063/1.3213013 |
0.381 |
|
| 2009 |
Shi Q, Geva E. A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method. The Journal of Chemical Physics. 131: 034511. PMID 19624213 DOI: 10.1063/1.3176509 |
0.692 |
|
| 2009 |
McRobbie PL, Hanna G, Shi Q, Geva E. Signatures of nonequilibrium solvation dynamics on multidimensional spectra. Accounts of Chemical Research. 42: 1299-309. PMID 19552404 DOI: 10.1021/Ar800280S |
0.751 |
|
| 2009 |
Shi Q, Chen L, Nan G, Xu R, Yan Y. Electron transfer dynamics: Zusman equation versus exact theory. The Journal of Chemical Physics. 130: 164518. PMID 19405605 DOI: 10.1063/1.3125003 |
0.368 |
|
| 2009 |
Chen L, Shi Q. Quantum rate dynamics for proton transfer reactions in condensed phase: the exact hierarchical equations of motion approach. The Journal of Chemical Physics. 130: 134505. PMID 19355749 DOI: 10.1063/1.3097128 |
0.465 |
|
| 2009 |
Nan G, Shi Q, Shuai Z. Nonperturbative time-convolutionless quantum master equation from the path integral approach. The Journal of Chemical Physics. 130: 134106. PMID 19355716 DOI: 10.1063/1.3108521 |
0.427 |
|
| 2009 |
Shi Q, Chen L, Nan G, Xu RX, Yan Y. Efficient hierarchical Liouville space propagator to quantum dissipative dynamics. The Journal of Chemical Physics. 130: 084105. PMID 19256595 DOI: 10.1063/1.3077918 |
0.447 |
|
| 2009 |
Zheng RH, Wei WM, Shi Q. Density functional theory study on sum-frequency vibrational spectroscopy of arabinose chiral solutions Journal of Physical Chemistry A. 113: 157-164. PMID 19072210 DOI: 10.1021/Jp808228E |
0.333 |
|
| 2008 |
Shi Q, Liu P, Voth GA. Coarse-graining in interaction space: an analytical approximation for the effective short-ranged electrostatics. The Journal of Physical Chemistry. B. 112: 16230-7. PMID 19367797 DOI: 10.1021/Jp807205Q |
0.579 |
|
| 2008 |
Liu P, Shi Q, Daumé H, Voth GA. A Bayesian statistics approach to multiscale coarse graining. The Journal of Chemical Physics. 129: 214114. PMID 19063551 DOI: 10.1063/1.3033218 |
0.561 |
|
| 2008 |
Shi Q, Geva E. A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solution. II. The signature of excited state dynamics on two-dimensional spectra. The Journal of Chemical Physics. 129: 124505. PMID 19045034 DOI: 10.1063/1.2981566 |
0.712 |
|
| 2008 |
Liu P, Shi Q, Lyman E, Voth GA. Reconstructing atomistic detail for coarse-grained models with resolution exchange. The Journal of Chemical Physics. 129: 114103. PMID 19044946 DOI: 10.1063/1.2976663 |
0.55 |
|
| 2006 |
Shi Q, Izvekov S, Voth GA. Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel. The Journal of Physical Chemistry. B. 110: 15045-8. PMID 16884212 DOI: 10.1021/Jp062700H |
0.562 |
|
| 2005 |
Ka BJ, Shi Q, Geva E. Vibrational energy relaxation rates via the linearized semiclassical approximation: applications to neat diatomic liquids and atomic-diatomic liquid mixtures. The Journal of Physical Chemistry. A. 109: 5527-36. PMID 16833883 DOI: 10.1021/Jp051223K |
0.786 |
|
| 2005 |
Shi Q, Voth GA. Multi-scale modeling of phase separation in mixed lipid bilayers Biophysical Journal. 89: 2385-2394. PMID 16055548 DOI: 10.1529/Biophysj.105.063784 |
0.568 |
|
| 2005 |
Shi Q, Geva E. A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solutions. The Journal of Chemical Physics. 122: 064506. PMID 15740387 DOI: 10.1063/1.1843813 |
0.703 |
|
| 2004 |
Shi Q, Geva E. A derivation of the mixed quantum-classical Liouville equation from the influence functional formalism. The Journal of Chemical Physics. 121: 3393-404. PMID 15303902 DOI: 10.1063/1.1771641 |
0.694 |
|
| 2004 |
Shi Q, Geva E. A semiclassical generalized quantum master equation for an arbitrary system-bath coupling. The Journal of Chemical Physics. 120: 10647-58. PMID 15268091 DOI: 10.1063/1.1738109 |
0.712 |
|
| 2004 |
Shi Q, Geva E. Nonradiative electronic relaxation rate constants from approximations based on linearizing the path-integral forward-backward action Journal of Physical Chemistry A. 108: 6109-6116. DOI: 10.1021/Jp049547G |
0.693 |
|
| 2003 |
Shi Q, Geva E. A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system-bath coupling Journal of Chemical Physics. 119: 12063-12076. DOI: 10.1063/1.1624830 |
0.699 |
|
| 2003 |
Shi Q, Geva E. Stimulated Raman adiabatic passage in the presence of dephasing Journal of Chemical Physics. 119: 11773-11787. DOI: 10.1063/1.1623482 |
0.695 |
|
| 2003 |
Shi Q, Geva E. On the calculation of vibrational energy relaxation rate constants from centroid molecular dynamics simulations Journal of Chemical Physics. 119: 9030-9046. DOI: 10.1063/1.1613636 |
0.721 |
|
| 2003 |
Shi Q, Geva E. A relationship between semiclassical and centroid correlation functions Journal of Chemical Physics. 118: 8173-8184. DOI: 10.1063/1.1564814 |
0.681 |
|
| 2003 |
Shi Q, Geva E. Vibrational energy relaxation rate constants from linear response theory Journal of Chemical Physics. 118: 7562-7571. DOI: 10.1063/1.1562611 |
0.686 |
|
| 2003 |
Shi Q, Geva E. Vibrational Energy Relaxation in Liquid Oxygen from a Semiclassical Molecular Dynamics Simulation Journal of Physical Chemistry A. 107: 9070-9078. DOI: 10.1021/Jp0304982 |
0.696 |
|
| 2003 |
Shi Q, Geva E. Semiclassical Theory of Vibrational Energy Relaxation in the Condensed Phase Journal of Physical Chemistry A. 107: 9059-9069. DOI: 10.1021/Jp030497+ |
0.7 |
|
| 2002 |
Shi Q, Geva E. Centroid-based methods for calculating quantum reaction rate constants: Centroid sampling versus centroid dynamics Journal of Chemical Physics. 116: 3223-3233. DOI: 10.1063/1.1445120 |
0.711 |
|
| 2002 |
Navrotskaya I, Shi Q, Geva E. Quantum-mechanical reaction rate constants from centroid molecular dynamics simulations: Barrier crossing in an asymmetrical double-well Israel Journal of Chemistry. 42: 225-236. DOI: 10.1063/1.1412870 |
0.781 |
|
| 2000 |
Wang D, Shi Q, Zhu Q. An ab initio quartic force field of PH3 The Journal of Chemical Physics. 112: 9624-9631. DOI: 10.1063/1.481579 |
0.591 |
|
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