Xiaosong Li - Publications

Affiliations: 
2005- University of Washington, Seattle, Seattle, WA 
Area:
Theoretical Chemistry
Website:
http://depts.washington.edu/chem/people/faculty/li.html

84 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Peng Z, Liang W, Hu Z, Li X, Guo R, Hua L, Tang X, Tan C, Chen H, Wang X, Wu B. O-serogroups, virulence genes, antimicrobial susceptibility, and MLST genotypes of Shiga toxin-producing Escherichia coli from swine and cattle in Central China. Bmc Veterinary Research. 15: 427. PMID 31783837 DOI: 10.1186/s12917-019-2177-1  1
2019 Wang D, Ma J, Tan L, Chen Y, Zhou X, Wang H, Guo J, Li X, Liu X. Characteristics of help-seeking behavior among bipolar disorder patients: A study in Hunan, China. Medicine. 98: e17687. PMID 31725611 DOI: 10.1097/MD.0000000000017687  0.32
2019 Yang Y, Xu Y, Nie Y, Wang H, Long S, Li X. A new palliative treatment for blastic plasmacytoid dendritic cell neoplasm: a case report and review of the literature. The Journal of International Medical Research. 300060519871860. PMID 31530159 DOI: 10.1177/0300060519871860  0.32
2019 Stetina TF, Sun S, Lingerfelt DB, Clark AE, Li X. The Role of Excited State Proton Relays on the Photochemical Dynamics of Water Nanodroplets. The Journal of Physical Chemistry Letters. PMID 31091108 DOI: 10.1021/acs.jpclett.9b01062  0.72
2019 Jenkins AJ, Liu H, Kasper JM, Frisch MJ, Li X. A Variational Relativistic Two-Component Complete Active Space Self-Consistent Field Method. Journal of Chemical Theory and Computation. PMID 31018093 DOI: 10.1021/acs.jctc.9b00011  0.84
2019 Liu H, Jenkins AJ, Wildman A, Frisch MJ, Lipparini F, Mennucci B, Li X. Time-dependent Complete Active Space Embedded in Polarizable Force Field. Journal of Chemical Theory and Computation. PMID 30689381 DOI: 10.1021/acs.jctc.8b01152  0.84
2018 Radler JJ, Lingerfelt DB, Castellano FN, Chen LX, Li X. Role of Vibrational Dynamics on Excited-State Electronic Coherence in a Binuclear Platinum Complex. The Journal of Physical Chemistry. A. PMID 29652504 DOI: 10.1021/acs.jpca.8b01352  0.72
2018 Nguyen D, Goings JJ, Nguyen HA, Lyding J, Li X, Gruebele M. Orientation-dependent imaging of electronically excited quantum dots. The Journal of Chemical Physics. 148: 064701. PMID 29448801 DOI: 10.1063/1.5012784  0.36
2017 Donati G, Wildman A, Caprasecca S, Lingerfelt DB, Lipparini F, Mennucci B, Li X. Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field. The Journal of Physical Chemistry Letters. 5283-5289. PMID 28994290 DOI: 10.1021/acs.jpclett.7b02320  0.72
2017 Mo Z, Xie X, Wang H, Qin H, Han W, Li X. Analysis of diagnosis and treatment of lipoblastomatosis. Science China. Life Sciences. PMID 28639103 DOI: 10.1007/s11427-017-9088-6  0.32
2017 Egidi F, Sun S, Goings JJ, Scalmani G, Frisch MJ, Li X. Two-Component Non-Collinear Time-Dependent Spin Density Functional Theory for the Excited States Calculations. Journal of Chemical Theory and Computation. PMID 28481542 DOI: 10.1021/acs.jctc.7b00104  0.84
2017 Petrone A, Williams-Young DB, Lingerfelt DB, Li X. Ab Initio Excited State Transient Raman Analysis. The Journal of Physical Chemistry. A. PMID 28467699 DOI: 10.1021/acs.jpca.7b02905  0.72
2017 Egidi F, Williams-Young DB, Baiardi A, Bloino J, Scalmani G, Frisch MJ, Li X, Barone V. Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: the VPT2-TDDFT Route. Journal of Chemical Theory and Computation. PMID 28453287 DOI: 10.1021/acs.jctc.7b00218  0.84
2017 Lingerfelt DB, Lestrange PJ, Radler JJ, Brown-Xu SE, Kim P, Castellano FN, Chen LX, Li X. Can Excited State Electronic Coherence be Tuned via Molecular Structural Modification? A First-Principles Quantum Electronic Dynamics Study of Pyrazolate-Bridged Pt(II) Dimers. The Journal of Physical Chemistry. A. PMID 28207256 DOI: 10.1021/acs.jpca.6b12099  0.72
2016 Goings JJ, Lingerfelt DB, Li X. Can Quantized Vibrational Effects Be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics? The Journal of Physical Chemistry Letters. 7: 5193-5197. PMID 27973884 DOI: 10.1021/acs.jpclett.6b02424  0.72
2016 Chueh CC, Li CZ, Ding F, Li Z, Cernetic N, Li X, Jen AK. Doping Versatile n-Type Organic Semiconductors via Room-Temperature Solution-Processable Anionic Dopants. Acs Applied Materials & Interfaces. PMID 27966345 DOI: 10.1021/acsami.6b14375  0.8
2016 Petrone A, Lingerfelt DB, Williams-Young DB, Li X. Ab Initio Transient Vibrational Spectral Analysis. The Journal of Physical Chemistry Letters. 4501-4508. PMID 27788583 DOI: 10.1021/acs.jpclett.6b02292  0.72
2016 Williams-Young D, Goings JJ, Li X. Accelerating Real-Time Time-Dependent Density Functional Theory with a Non-Recursive Chebyshev Expansion of the Quantum Propagator. Journal of Chemical Theory and Computation. PMID 27749071 DOI: 10.1021/acs.jctc.6b00693  0.36
2016 Weller CE, Dhall A, Ding F, Linares E, Whedon SD, Senger NA, Tyson EL, Bagert JD, Li X, Augusto O, Chatterjee C. Aromatic thiol-mediated cleavage of N-O bonds enables chemical ubiquitylation of folded proteins. Nature Communications. 7: 12979. PMID 27680493 DOI: 10.1038/ncomms12979  1
2016 Goings JJ, Kasper JM, Egidi F, Sun S, Li X. Real time propagation of the exact two component time-dependent density functional theory. The Journal of Chemical Physics. 145: 104107. PMID 27634251 DOI: 10.1063/1.4962422  1
2016 Donati G, Lingerfelt DB, Petrone A, Rega N, Li X. "Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics. The Journal of Physical Chemistry. A. PMID 27571540 DOI: 10.1021/acs.jpca.6b06419  0.72
2016 Pepin R, Petrone A, Laszlo KJ, Bush MF, Li X, Turecek F. Does Thermal Breathing Affect Collision Cross Sections of Gas-Phase Peptide Ions? An Ab Initio Molecular Dynamics Study. The Journal of Physical Chemistry Letters. PMID 27389035 DOI: 10.1021/acs.jpclett.6b01187  1
2016 Egidi F, Goings JJ, Frisch MJ, Li X. A Direct Atomic-Orbital Based Relativistic Two-Component Linear Response Method for Calculating Excited State Fine Structures. Journal of Chemical Theory and Computation. PMID 27387787 DOI: 10.1021/acs.jctc.6b00474  1
2016 Goings JJ, Li X. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra. The Journal of Chemical Physics. 144: 234102. PMID 27334149 DOI: 10.1063/1.4953668  0.36
2016 Shelby ML, Lestrange PJ, Jackson NE, Haldrup K, Mara MW, Stickrath AB, Zhu D, Lemke H, Chollet M, Hoffman BM, Li X, Chen LX. Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy. Journal of the American Chemical Society. PMID 27286410 DOI: 10.1021/jacs.6b02176  1
2016 Yin F, Zhang T, Liu L, Lv Q, Li X. The Association between Ambient Temperature and Childhood Hand, Foot, and Mouth Disease in Chengdu, China: A Distributed Lag Non-linear Analysis. Scientific Reports. 6: 27305. PMID 27248051 DOI: 10.1038/srep27305  0.44
2016 Li Z, Toivola R, Ding F, Yang J, Lai PN, Howie T, Georgeson G, Jang SH, Li X, Flinn BD, Jen AK. Highly Sensitive Built-In Strain Sensors for Polymer Composites: Fluorescence Turn-On Response through Mechanochemical Activation. Advanced Materials (Deerfield Beach, Fla.). PMID 27184010 DOI: 10.1002/adma.201600589  0.8
2016 Lingerfelt DB, Williams-Young DB, Petrone A, Li X. Direct Ab Initio (Meta-)Surface-Hopping Dynamics. Journal of Chemical Theory and Computation. PMID 26855086 DOI: 10.1021/acs.jctc.5b00697  0.72
2015 Peng B, Lestrange PJ, Goings JJ, Caricato M, Li X. Energy-Specific Equation-of-Motion Coupled-Cluster Methods for High-Energy Excited States: Application to K-edge X-ray Absorption Spectroscopy. Journal of Chemical Theory and Computation. 11: 4146-4153. PMID 26575909 DOI: 10.1021/acs.jctc.5b00459  1
2015 Lestrange PJ, Nguyen PD, Li X. Calibration of Energy-Specific TDDFT for Modeling K-edge XAS Spectra of Light Elements. Journal of Chemical Theory and Computation. 11: 2994-2999. PMID 26575736 DOI: 10.1021/acs.jctc.5b00169  1
2015 Nienhaus L, Goings JJ, Nguyen D, Wieghold S, Lyding JW, Li X, Gruebele M. Imaging Excited Orbitals of Quantum Dots: Experiment and Electronic Structure Theory. Journal of the American Chemical Society. PMID 26518039 DOI: 10.1021/jacs.5b09272  1
2015 Goings JJ, Ding F, Davidson ER, Li X. Approximate singly excited states from a two-component Hartree-Fock reference. The Journal of Chemical Physics. 143: 144106. PMID 26472362 DOI: 10.1063/1.4932540  0.8
2015 Ding F, Goings JJ, Liu H, Lingerfelt DB, Li X. Ab initio two-component Ehrenfest dynamics. The Journal of Chemical Physics. 143: 114105. PMID 26395685 DOI: 10.1063/1.4930985  1
2015 Goings JJ, Ding F, Frisch MJ, Li X. Stability of the complex generalized Hartree-Fock equations. The Journal of Chemical Physics. 142: 154109. PMID 25903868 DOI: 10.1063/1.4918561  1
2015 Ding F, Lingerfelt DB, Mennucci B, Li X. Time-dependent non-equilibrium dielectric response in QM/continuum approaches. The Journal of Chemical Physics. 142: 034120. PMID 25612702 DOI: 10.1063/1.4906083  1
2014 Lestrange PJ, Peng B, Ding F, Trucks GW, Frisch MJ, Li X. Density of States Guided Møller-Plesset Perturbation Theory. Journal of Chemical Theory and Computation. 10: 1910-4. PMID 26580520 DOI: 10.1021/ct400765a  1
2014 Ding F, Goings JJ, Frisch MJ, Li X. Ab initio non-relativistic spin dynamics. The Journal of Chemical Physics. 141: 214111. PMID 25481133 DOI: 10.1063/1.4902884  1
2014 Goings JJ, Caricato M, Frisch MJ, Li X. Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations. The Journal of Chemical Physics. 141: 164116. PMID 25362281 DOI: 10.1063/1.4898709  1
2014 Petrone A, Lingerfelt DB, Rega N, Li X. From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics. Physical Chemistry Chemical Physics : Pccp. 16: 24457-65. PMID 25306872 DOI: 10.1039/c4cp04000g  1
2014 Fischer SA, Lingerfelt DB, May JW, Li X. Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn²⁺-doped ZnO quantum dots. Physical Chemistry Chemical Physics : Pccp. 16: 17507-14. PMID 25019366 DOI: 10.1039/c4cp01683a  1
2014 Ding F, Guidez EB, Aikens CM, Li X. Quantum coherent plasmon in silver nanowires: a real-time TDDFT study. The Journal of Chemical Physics. 140: 244705. PMID 24985666 DOI: 10.1063/1.4884388  1
2013 Peng B, Van Kuiken BE, Ding F, Li X. A Guided Self-Consistent-Field Method for Excited-State Wave Function Optimization: Applications to Ligand-Field Transitions in Transition-Metal Complexes. Journal of Chemical Theory and Computation. 9: 3933-8. PMID 26592388 DOI: 10.1021/ct400547n  1
2013 Li CZ, Chueh CC, Ding F, Yip HL, Liang PW, Li X, Jen AK. Doping of fullerenes via anion-induced electron transfer and its implication for surfactant facilitated high performance polymer solar cells. Advanced Materials (Deerfield Beach, Fla.). 25: 4425-30. PMID 23776132 DOI: 10.1002/adma.201300580  1
2013 Li CZ, Chueh CC, Yip HL, Ding F, Li X, Jen AK. Solution-processible highly conducting fullerenes. Advanced Materials (Deerfield Beach, Fla.). 25: 2457-61. PMID 23494904 DOI: 10.1002/adma.201204543  1
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  1
2013 Ding F, Van Kuiken BE, Eichinger BE, Li X. An efficient method for calculating dynamical hyperpolarizabilities using real-time time-dependent density functional theory. The Journal of Chemical Physics. 138: 064104. PMID 23425458 DOI: 10.1063/1.4790583  1
2013 Lu Z, Marcelin G, Bauzon F, Wang H, Fu H, Dun SL, Zhao H, Li X, Jo YH, Wardlaw S, Dun N, Chua S, Zhu L. pRb is an obesity suppressor in hypothalamus and high-fat diet inhibits pRb in this location. The Embo Journal. 32: 844-57. PMID 23403926 DOI: 10.1038/emboj.2013.25  0.32
2012 May JW, Lehner JD, Frisch MJ, Li X. Transition State Search Using a Guided Direct Inversion in the Iterative Subspace Method. Journal of Chemical Theory and Computation. 8: 5175-9. PMID 26593207 DOI: 10.1021/ct300702v  1
2012 Hratchian HP, Li X. Thirty Years of Geometry Optimization in Quantum Chemistry and Beyond: A Tribute to Berny Schlegel. Journal of Chemical Theory and Computation. 8: 4853-5. PMID 26593179 DOI: 10.1021/ct300950r  1
2012 May JW, McMorris RJ, Li X. Ferromagnetism in p-Type Manganese-Doped Zinc Oxide Quantum Dots. The Journal of Physical Chemistry Letters. 3: 1374-80. PMID 26286785 DOI: 10.1021/jz300273k  1
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  1
2012 Schlenker CW, Chen KS, Yip HL, Li CZ, Bradshaw LR, Ochsenbein ST, Ding F, Li XS, Gamelin DR, Jen AK, Ginger DS. Polymer triplet energy levels need not limit photocurrent collection in organic solar cells. Journal of the American Chemical Society. 134: 19661-8. PMID 23126491 DOI: 10.1021/ja306110b  1
2012 Xu YX, Chueh CC, Yip HL, Ding FZ, Li YX, Li CZ, Li X, Chen WC, Jen AK. Improved charge transport and absorption coefficient in indacenodithieno[3,2-b]thiophene-based ladder-type polymer leading to highly efficient polymer solar cells. Advanced Materials (Deerfield Beach, Fla.). 24: 6356-61. PMID 23001969 DOI: 10.1002/adma.201203246  1
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  1
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  1
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  1
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  1
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  1
2011 Fischer SA, Chapman CT, Li X. Surface hopping with Ehrenfest excited potential. The Journal of Chemical Physics. 135: 144102. PMID 22010693 DOI: 10.1063/1.3646920  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2010 Smith SM, Romanov DA, Li X, Sonk JA, Schlegel HB, Levis RJ. Numerical bound state electron dynamics of carbon dioxide in the strong-field regime. The Journal of Physical Chemistry. A. 114: 2576-87. PMID 20113001 DOI: 10.1021/jp904549d  1
2009 Isborn CM, Li X. Singlet-Triplet Transitions in Real-Time Time-Dependent Hartree-Fock/Density Functional Theory. Journal of Chemical Theory and Computation. 5: 2415-9. PMID 26616622 DOI: 10.1021/ct900264b  1
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  1
2009 Ochsenbein ST, Feng Y, Whitaker KM, Badaeva E, Liu WK, Li X, Gamelin DR. Charge-controlled magnetism in colloidal doped semiconductor nanocrystals. Nature Nanotechnology. 4: 681-7. PMID 19809461 DOI: 10.1038/nnano.2009.221  1
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  1
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  1
2008 Isborn CM, Li X. Modeling the doubly excited state with time-dependent Hartree-Fock and density functional theories. The Journal of Chemical Physics. 129: 204107. PMID 19045852 DOI: 10.1063/1.3020336  1
2008 Moss CL, Li X. First order simultaneous optimization of molecular geometry and electronic wave function. The Journal of Chemical Physics. 129: 114102. PMID 19044945 DOI: 10.1063/1.2977735  1
2008 Davies JA, Elangovan A, Sullivan PA, Olbricht BC, Bale DH, Ewy TR, Isborn CM, Eichinger BE, Robinson BH, Reid PJ, Li X, Dalton LR. Rational enhancement of second-order nonlinearity: bis-(4-methoxyphenyl)hetero-aryl-amino donor-based chromophores: design, synthesis, and electrooptic activity. Journal of the American Chemical Society. 130: 10565-75. PMID 18642806 DOI: 10.1021/ja8007424  1
2007 Smith SM, Li X, Markevitch A, Romanov D, Levis RJ, Schlegel HB. Numerical simulation of nonadiabatic electron excitation in the strong-field regime. 3. Polyacene neutrals and cations. The Journal of Physical Chemistry. A. 111: 6920-32. PMID 17625807 DOI: 10.1021/jp070380b  1
2007 Schlegel HB, Smith SM, Li X. Electronic optical response of molecules in intense fields: comparison of TD-HF, TD-CIS, and TD-CIS(D) approaches. The Journal of Chemical Physics. 126: 244110. PMID 17614540 DOI: 10.1063/1.2743982  1
2007 Isborn CM, Li X, Tully JC. Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters. The Journal of Chemical Physics. 126: 134307. PMID 17430032 DOI: 10.1063/1.2713391  1
2006 Li X, Frisch MJ. Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method. Journal of Chemical Theory and Computation. 2: 835-9. PMID 26626690 DOI: 10.1021/ct050275a  1
2005 Li X, Smith SM, Markevitch AN, Romanov DA, Levis RJ, Schlegel HB. A time-dependent Hartree-Fock approach for studying the electronic optical response of molecules in intense fields. Physical Chemistry Chemical Physics : Pccp. 7: 233-9. PMID 19785143 DOI: 10.1039/b415849k  1
2005 Smith SM, Li X, Markevitch AN, Romanov DA, Levis RJ, Schlegel HB. Numerical simulation of nonadiabatic electron excitation in the strong field regime. 2. Linear polyene cations. The Journal of Physical Chemistry. A. 109: 10527-34. PMID 16834308 DOI: 10.1021/jp053696x  1
2005 Smith SM, Li X, Markevitch AN, Romanov DA, Levis RJ, Schlegel HB. A numerical simulation of nonadiabatic electron excitation in the strong field regime: Linear polyenes. The Journal of Physical Chemistry. A. 109: 5176-85. PMID 16833873 DOI: 10.1021/jp050968n  1
2005 Li X, Tully JC, Schlegel HB, Frisch MJ. Ab initio Ehrenfest dynamics. The Journal of Chemical Physics. 123: 084106. PMID 16164281 DOI: 10.1063/1.2008258  1
2002 Li X, Liu L, Schlegel HB. On the physical origin of blue-shifted hydrogen bonds. Journal of the American Chemical Society. 124: 9639-47. PMID 12167060 DOI: 10.1021/ja020213j  1
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