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Christine M. Isborn, Ph.D. - Publications

Affiliations: 
2009 University of Washington, Seattle, Seattle, WA 
 2012- University of California, Merced, Merced, CA, United States 
Area:
Theoretical Chemistry
Website:
https://www.ucmerced.edu/content/christine-isborn
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66 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
2023 Chen MS, Mao Y, Snider A, Gupta P, Montoya-Castillo A, Zuehlsdorff TJ, Isborn CM, Markland TE. Elucidating the Role of Hydrogen Bonding in the Optical Spectroscopy of the Solvated Green Fluorescent Protein Chromophore: Using Machine Learning to Establish the Importance of High-Level Electronic Structure. The Journal of Physical Chemistry Letters. 6610-6619. PMID 37459252 DOI: 10.1021/acs.jpclett.3c01444  0.347
2023 Ranka K, Isborn CM. Size-dependent errors in real-time electron density propagation. The Journal of Chemical Physics. 158. PMID 37125706 DOI: 10.1063/5.0142515  0.371
2023 Han B, Isborn CM, Shi L. Incorporating Polarization and Charge Transfer into a Point-Charge Model for Water Using Machine Learning. The Journal of Physical Chemistry Letters. 3869-3877. PMID 37067482 DOI: 10.1021/acs.jpclett.3c00036  0.442
2022 Abou Taka A, Lu SY, Gowland D, Zuehlsdorff TJ, Corzo HH, Pribram-Jones A, Shi L, Hratchian HP, Isborn CM. Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue. Journal of Chemical Theory and Computation. PMID 35472264 DOI: 10.1021/acs.jctc.1c01127  0.798
2021 Lu SY, Zuehlsdorff TJ, Hong H, Aguirre VP, Isborn CM, Shi L. The Influence of Electronic Polarization on Nonlinear Optical Spectroscopy. The Journal of Physical Chemistry. B. PMID 34726915 DOI: 10.1021/acs.jpcb.1c05914  0.793
2021 Dunnett AJ, Gowland D, Isborn CM, Chin AW, Zuehlsdorff TJ. Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue. The Journal of Chemical Physics. 155: 144112. PMID 34654312 DOI: 10.1063/5.0062950  0.386
2021 Shedge SV, Zuehlsdorff TJ, Khanna A, Conley S, Isborn CM. Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy. The Journal of Chemical Physics. 154: 084116. PMID 33639769 DOI: 10.1063/5.0038196  0.314
2021 Han B, Isborn CM, Shi L. Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models. Journal of Chemical Theory and Computation. PMID 33405925 DOI: 10.1021/acs.jctc.0c01102  0.425
2021 Zuehlsdorff TJ, Shedge SV, Lu SY, Hong H, Aguirre VP, Shi L, Isborn CM. Vibronic and Environmental Effects in Simulations of Optical Spectroscopy. Annual Review of Physical Chemistry. PMID 33395546 DOI: 10.1146/annurev-physchem-090419-051350  0.777
2020 Li X, Govind N, Isborn C, DePrince AE, Lopata K. Real-Time Time-Dependent Electronic Structure Theory. Chemical Reviews. PMID 32813506 DOI: 10.1021/Acs.Chemrev.0C00223  0.558
2020 Chen MS, Zuehlsdorff TJ, Morawietz T, Isborn CM, Markland TE. Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments. The Journal of Physical Chemistry Letters. PMID 32808797 DOI: 10.1021/Acs.Jpclett.0C02168  0.504
2020 Zuehlsdorff TJ, Hong H, Shi L, Isborn CM. Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions. The Journal of Chemical Physics. 153: 044127. PMID 32752702 DOI: 10.1063/5.0013739  0.59
2020 Kocherzhenko AA, Shedge SV, Germaux PF, Heidarian M, Isborn CM. Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids. Journal of Visualized Experiments : Jove. PMID 32538916 DOI: 10.3791/60598  0.784
2019 Zuehlsdorff TJ, Hong H, Shi L, Isborn CM. The Influence of Electronic Polarization on the Spectral Density. The Journal of Physical Chemistry. B. PMID 31880454 DOI: 10.1021/Acs.Jpcb.9B10250  0.623
2019 Zuehlsdorff TJ, Montoya-Castillo A, Napoli JA, Markland TE, Isborn CM. Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches. The Journal of Chemical Physics. 151: 074111. PMID 31438704 DOI: 10.1063/1.5114818  0.471
2019 Shedge SV, Zuehlsdorff TJ, Servis MJ, Clark AE, Isborn CM. The Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores. The Journal of Physical Chemistry. A. PMID 31194554 DOI: 10.1021/Acs.Jpca.9B03163  0.317
2019 Zuehlsdorff TJ, Isborn CM. Erratum: "Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution" [J. Chem. Phys. 148, 024110 (2018)]. The Journal of Chemical Physics. 148: 079901. PMID 29471645 DOI: 10.1063/1.5024413  0.36
2019 Kocherzhenko AA, Shedge SV, Sosa Vazquez X, Maat J, Wilmer J, Tillack AF, Johnson LE, Isborn CM. Unraveling Excitonic Effects for the First Hyperpolarizabilities of Chromophore Aggregates The Journal of Physical Chemistry C. 123: 13818-13836. DOI: 10.1021/Acs.Jpcc.8B12445  0.779
2018 Zuehlsdorff TJ, Napoli JA, Milanese JM, Markland TE, Isborn CM. Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water. The Journal of Chemical Physics. 149: 024107. PMID 30007372 DOI: 10.1063/1.5025517  0.482
2018 Zuehlsdorff TJ, Isborn CM. Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution. The Journal of Chemical Physics. 148: 024110. PMID 29331131 DOI: 10.1063/1.5006043  0.424
2018 Robinson BH, Johnson LE, Elder DL, Kocherzhenko AA, Isborn CM, Haffner C, Heni W, Hoessbacher C, Fedoryshyn Y, Salamin Y, Baeuerle B, Josten A, Ayata M, Koch U, Leuthold J, et al. Optimization of Plasmonic-Organic Hybrid Electro-Optics Journal of Lightwave Technology. 36: 5036-5047. DOI: 10.1109/Jlt.2018.2865882  0.746
2018 Zuehlsdorff TJ, Isborn CM. Modeling absorption spectra of molecules in solution International Journal of Quantum Chemistry. 119: e25719. DOI: 10.1002/Qua.25719  0.333
2017 Provorse Long MR, Isborn CM. Combining Explicit Quantum Solvent with a Polarizable Continuum Model. The Journal of Physical Chemistry. B. PMID 28992689 DOI: 10.1021/Acs.Jpcb.7B06693  0.452
2017 Kocherzhenko AA, Sosa Vazquez XA, Milanese JM, Isborn CM. Absorption Spectra for Disordered Aggregates of Chromophores Using the Exciton Model. Journal of Chemical Theory and Computation. 13: 3787-3801. PMID 28686841 DOI: 10.1021/Acs.Jctc.7B00477  0.792
2017 Milanese JM, Provorse MR, Alameda E, Isborn CM. Convergence of Computed Aqueous Absorption Spectra with Explicit Quantum Mechanical Solvent. Journal of Chemical Theory and Computation. PMID 28362490 DOI: 10.1021/Acs.Jctc.7B00159  0.41
2017 Provorse MR, Peev T, Xiong C, Isborn CM. Correction to "Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models". The Journal of Physical Chemistry. B. PMID 28263069 DOI: 10.1021/Acs.Jpcb.7B02004  0.389
2016 Provorse MR, Peev T, Xiong C, Isborn CM. Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models. The Journal of Physical Chemistry. B. PMID 27797196 DOI: 10.1021/Acs.Jpcb.6B09176  0.476
2016 Wang L, Isborn CM, Markland TE. Simulating Nuclear and Electronic Quantum Effects in Enzymes. Methods in Enzymology. 577: 389-418. PMID 27498646 DOI: 10.1016/Bs.Mie.2016.05.047  0.357
2016 Provorse MR, Isborn CM. Electron dynamics with real-time time-dependent density functional theory International Journal of Quantum Chemistry. 116: 739-749. DOI: 10.1002/Qua.25096  0.468
2015 Sosa Vazquez XA, Isborn CM. Size-dependent error of the density functional theory ionization potential in vacuum and solution. The Journal of Chemical Physics. 143: 244105. PMID 26723649 DOI: 10.1063/1.4937417  0.424
2015 Provorse MR, Habenicht BF, Isborn CM. Peak-Shifting in Real-Time Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation. 11: 4791-802. PMID 26574268 DOI: 10.1021/Acs.Jctc.5B00559  0.508
2015 Whittleton SR, Sosa Vazquez XA, Isborn CM, Johnson ER. Density-functional errors in ionization potential with increasing system size. The Journal of Chemical Physics. 142: 184106. PMID 25978882 DOI: 10.1063/1.4920947  0.387
2014 Garrett K, Sosa Vazquez X, Egri SB, Wilmer J, Johnson LE, Robinson BH, Isborn CM. Optimum Exchange for Calculation of Excitation Energies and Hyperpolarizabilities of Organic Electro-optic Chromophores. Journal of Chemical Theory and Computation. 10: 3821-31. PMID 26588527 DOI: 10.1021/Ct500528Z  0.487
2014 Habenicht BF, Tani NP, Provorse MR, Isborn CM. Two-electron Rabi oscillations in real-time time-dependent density-functional theory. The Journal of Chemical Physics. 141: 184112. PMID 25399137 DOI: 10.1063/1.4900514  0.399
2014 Garrett K, Sosa Vazquez X, Egri SB, Wilmer J, Johnson LE, Robinson BH, Isborn CM. Optimum exchange for calculation of excitation energies and hyperpolarizabilities of organic electro-optic chromophores Journal of Chemical Theory and Computation. 10: 3821-3831. DOI: 10.1021/ct500528z  0.31
2013 Isborn CM, Mar BD, Curchod BF, Tavernelli I, Martínez TJ. The charge transfer problem in density functional theory calculations of aqueously solvated molecules. The Journal of Physical Chemistry. B. 117: 12189-201. PMID 23964865 DOI: 10.1021/Jp4058274  0.757
2013 Isborn CM, Tang C, Martini A, Johnson ER, Otero-De-La-Roza A, Tung VC. Carbon nanotube chirality determines efficiency of electron transfer to fullerene in all-carbon photovoltaics Journal of Physical Chemistry Letters. 4: 2914-2918. DOI: 10.1021/Jz401369S  0.354
2012 Isborn CM, Götz AW, Clark MA, Walker RC, Martínez TJ. Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein. Journal of Chemical Theory and Computation. 8: 5092-5106. PMID 23476156 DOI: 10.1021/Ct3006826  0.616
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  0.78
2011 Isborn CM, Luehr N, Ufimtsev IS, Martínez TJ. Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units. Journal of Chemical Theory and Computation. 7: 1814-1823. PMID 21687784 DOI: 10.1021/Ct200030K  0.788
2011 Fischer SA, Isborn CM, Prezhdo OV. Excited states and optical absorption of small semiconducting clusters: Dopants, defects and charging Chemical Science. 2: 400-406. DOI: 10.1039/C0Sc00626B  0.687
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  0.618
2010 Bing Y, Selassie D, Paradise RH, Isborn C, Kramer N, Sadilek M, Kaminsky W, Kahr B. Circular dichroism tensor of a triarylmethyl propeller in sodium chlorate crystals. Journal of the American Chemical Society. 132: 7454-65. PMID 20446684 DOI: 10.1021/Ja1018892  0.312
2010 Fischer SA, Madrid AB, Isborn CM, Prezhdo OV. Multiple exciton generation in small Si clusters: A high-level, ab initio study Journal of Physical Chemistry Letters. 1: 232-237. DOI: 10.1021/Jz900097E  0.609
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  0.552
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  0.685
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  0.614
2009 Tretiak S, Isborn CM, Niklasson AM, Challacombe M. Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories. The Journal of Chemical Physics. 130: 054111. PMID 19206962 DOI: 10.1063/1.3068658  0.41
2009 Moss CL, Isborn CM, Li X. Ehrenfest dynamics with a time-dependent density-functional-theory calculation of lifetimes and resonant widths of charge-transfer states ofLi+near an aluminum cluster surface Physical Review A. 80. DOI: 10.1103/Physreva.80.024503  0.514
2009 Isborn CM, Prezhdo OV. Charging quenches multiple exciton generation in semiconductor nanocrystals: first-principles calculations on small PbSe clusters Journal of Physical Chemistry C. 113: 12617-12621. DOI: 10.1021/Jp902621A  0.492
2009 Badaeva E, Isborn CM, Feng Y, Ochsenbein ST, Gamelin DR, Li X. Theoretical characterization of electronic transitions in Co 2+- and Mn 2+-doped zno nanocrystals Journal of Physical Chemistry C. 113: 8710-8717. DOI: 10.1021/Jp900392J  0.698
2009 Li X, Isborn CM. Modeling the doubly-excited state with time-dependent Hartree-Fock and density functional theories Acs National Meeting Book of Abstracts.  0.339
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  0.621
2008 Hrovat DA, Isborn CM, Kahr B, Borden WT. Internal dynamics and optical rotations predicted for O(h)- and O-symmetric cubanes. Organic Letters. 10: 4763-6. PMID 18834134 DOI: 10.1021/Ol801762R  0.328
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  0.531
2008 Claborn K, Isborn C, Kaminsky W, Kahr B. Optical rotation of achiral compounds. Angewandte Chemie (International Ed. in English). 47: 5706-17. PMID 18600811 DOI: 10.1002/Anie.200704559  0.305
2008 Isborn CM, Kilina SV, Li X, Prezhdo OV. Generation of multiple excitons in PbSe and CdSe quantum dots by direct photoexcitation: First-principles calculations on small PbSe and CdSe clusters Journal of Physical Chemistry C. 112: 18291-18294. DOI: 10.1021/Jp807283J  0.558
2008 Takimoto Y, Isborn CM, Eichinger BE, Rehr JJ, Robinson BH. Frequency and solvent dependence of nonlinear optical properties of molecules Journal of Physical Chemistry C. 112: 8016-8021. DOI: 10.1021/Jp800444J  0.434
2007 Isborn C, Claborn K, Kahr B. The optical rotatory power of water. The Journal of Physical Chemistry. A. 111: 7800-4. PMID 17629259 DOI: 10.1021/Jp073439N  0.453
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  0.649
2007 Isborn CM, Leclercq A, Vila FD, Dalton LR, Brédas JL, Eichinger BE, Robinson BH. Comparison of static first hyperpolarizabilities calculated with various quantum mechanical methods. The Journal of Physical Chemistry. A. 111: 1319-27. PMID 17256825 DOI: 10.1021/jp064096g  0.335
2007 Wustholz KL, Bott ED, Isborn CM, Li X, Kahr B, Reid PJ. Dispersive kinetics from single molecules oriented in single crystals of potassium acid phthalate Journal of Physical Chemistry C. 111: 9146-9156. DOI: 10.1021/Jp0713559  0.507
2006 Claborn K, Cedres JH, Isborn C, Zozulya A, Weckert E, Kaminsky W, Kahr B. Optical rotation of achiral pentaerythritol. Journal of the American Chemical Society. 128: 14746-7. PMID 17105251 DOI: 10.1021/Ja064631Q  0.373
2006 Kinnibrugh T, Bhattacharjee S, Sullivan P, Isborn C, Robinson BH, Eichinger BE. Influence of isomerization on nonlinear optical properties of molecules. The Journal of Physical Chemistry. B. 110: 13512-22. PMID 16821878 DOI: 10.1021/Jp0608271  0.41
2006 Isborn CM, Davidson ER, Robinson BH. Ab initio diradical/zwitterionic polarizabilities and hyperpolarizabilities in twisted double bonds. The Journal of Physical Chemistry. A. 110: 7189-96. PMID 16737270 DOI: 10.1021/Jp056580+  0.396
2005 Isborn C, Hrovat DA, Borden WT, Mayer JM, Carpenter BK. Factors controlling the barriers to degenerate hydrogen atom transfers. Journal of the American Chemical Society. 127: 5794-5. PMID 15839670 DOI: 10.1021/Ja050024B  0.337
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