Jordan R. Schmidt - Publications

Affiliations: 
Chemistry University of Wisconsin, Madison, Madison, WI 
Area:
Computational chemistry
Website:
http://www.chem.wisc.edu/users/schmidt

95 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
2020 Muralidharan A, Schmidt JR, Yethiraj A. A Solvation Induced Ring Puckering Effect in Fluorinated Prolines and Its Inclusion in Classical Force-Fields. The Journal of Physical Chemistry. B. PMID 32551633 DOI: 10.1021/Acs.Jpcb.0C04312  1
2020 Weng T, Schmidt JR. Structure and Thermodynamic Stability of Zeolitic Imidazolate Framework Surfaces Journal of Physical Chemistry C. 124: 1458-1468. DOI: 10.1021/Acs.Jpcc.9B10124  0.48
2020 Cui K, Schmidt JR. Enabling Efficient and Accurate Computational Studies of MOF Reactivity via QM/MM and QM/QM Methods Journal of Physical Chemistry C. 124: 10550-10560. DOI: 10.1021/Acs.Jpcc.0C01220  0.6
2019 Cui K, Yethiraj A, Schmidt JR. Influence of Charge Scaling on the Solvation Properties of Ionic Liquid Solutions. The Journal of Physical Chemistry. B. PMID 31589039 DOI: 10.1021/Acs.Jpcb.9B08033  1
2019 Li X, Schmidt JR. Modeling the Nucleation of Weak Electrolytes via Hybrid GCMC/MD Simulation. Journal of Chemical Theory and Computation. 15: 5883-5893. PMID 31588744 DOI: 10.1021/Acs.Jctc.9B00743  1
2019 Weng T, Schmidt JR. A Flexible and Transferable Ab-initio Force Field for Zeolitic Imidazolate Frameworks: ZIF-FF. The Journal of Physical Chemistry. A. PMID 30835124 DOI: 10.1021/Acs.Jpca.8B12311  0.48
2019 Cui K, Schmidt JR. Comment on “Solubilities of ammonia in basic imidazolium ionic liquids” [Fluid Phase Equilib. 297 (2010) 34–39] Fluid Phase Equilibria. 492: 78-79. DOI: 10.1016/J.Fluid.2019.03.015  0.6
2018 Van Vleet MJ, Weng T, Li X, Schmidt JR. In Situ, Time-Resolved, and Mechanistic Studies of Metal-Organic Framework Nucleation and Growth. Chemical Reviews. PMID 29514005 DOI: 10.1021/Acs.Chemrev.7B00582  1
2017 Van Vleet MJ, Misquitta AJ, Schmidt JR. New angles on standard force fields: towards a general approach for treating atomic-level. Journal of Chemical Theory and Computation. PMID 29266931 DOI: 10.1021/Acs.Jctc.7B00851  0.48
2016 McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Ab Initio Force Fields for Imidazolium-Based Ionic Liquids. The Journal of Physical Chemistry. B. PMID 27352240 DOI: 10.1021/Acs.Jpcb.6B05328  1
2016 Van Vleet MJ, Misquitta AJ, Stone AJ, Schmidt JR. Beyond Born-Mayer: Improved models for short-range repulsion in ab initio force fields. Journal of Chemical Theory and Computation. PMID 27337546 DOI: 10.1021/Acs.Jctc.6B00209  1
2016 McDaniel JG, Schmidt JR. Next-Generation Force Fields from Symmetry-Adapted Perturbation Theory. Annual Review of Physical Chemistry. PMID 27070322 DOI: 10.1146/Annurev-Physchem-040215-112047  1
2016 Son CY, McDaniel JG, Schmidt JR, Cui Q, Yethiraj A. First Principles United Atom Force Field for the Ionic Liquid [BMIM][BF4] : An Alternative to Charge Scaling. The Journal of Physical Chemistry. B. PMID 26900644 DOI: 10.1021/Acs.Jpcb.5B12371  1
2016 Zhang C, Han C, Sholl DS, Schmidt JR. Computational Characterization of Defects in Metal-Organic Frameworks: Spontaneous and Water-Induced Point Defects in ZIF-8. The Journal of Physical Chemistry Letters. PMID 26771275 DOI: 10.1021/Acs.Jpclett.5B02683  1
2015 McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Conformational and Dynamic Properties of Polyethylene Oxide in an Ionic Liquid: Development and Implementation of a First Principles Force Field. The Journal of Physical Chemistry. B. PMID 26690901 DOI: 10.1021/Acs.Jpcb.5B10065  1
2015 Schmidt JR, Kliemt S, Preissler C, Moeller S, von Bergen M, Hempel U, Kalkhof S. Osteoblast-released matrix vesicles - regulation of activity and composition by sulfated and non-sulfated glycosaminoglycans. Molecular & Cellular Proteomics : McP. PMID 26598647 DOI: 10.1074/mcp.M115.049718  0.01
2015 Dunnington BD, Schmidt JR. A projection-free method for representing plane-wave DFT results in an atom-centered basis. The Journal of Chemical Physics. 143: 104109. PMID 26374020 DOI: 10.1063/1.4930015  0.56
2015 Cabán-Acevedo M, Stone ML, Schmidt JR, Thomas JG, Ding Q, Chang HC, Tsai ML, He JH, Jin S. Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide. Nature Materials. PMID 26366849 DOI: 10.1038/Nmat4410  0.28
2015 Schmidt JR, Weissman DH. Congruency sequence effects and previous response times: conflict adaptation or temporal learning? Psychological Research. PMID 26093801 DOI: 10.1007/S00426-015-0681-X  0.01
2015 Schmidt JR, Weissman DH. Contingent attentional capture triggers the congruency sequence effect. Acta Psychologica. 159: 61-8. PMID 26036421 DOI: 10.1016/J.Actpsy.2015.05.007  0.01
2015 Schmidt JR, Notebaert W, Bussche EV. Is conflict adaptation an illusion? Frontiers in Psychology. 6: 172. PMID 25762962 DOI: 10.3389/Fpsyg.2015.00172  0.01
2015 Tafazolian H, Schmidt JA. Highly efficient regioselective hydrosilylation of allenes using a [(3IP)Pd(allyl)]OTf catalyst; first example of allene hydrosilylation with phenyl- and diphenylsilane. Chemical Communications (Cambridge, England). 51: 5943-6. PMID 25738187 DOI: 10.1039/C4Cc09804H  0.01
2015 Schmidt JR, Yu K, McDaniel JG. Transferable next-generation force fields from simple liquids to complex materials. Accounts of Chemical Research. 48: 548-56. PMID 25688596 DOI: 10.1021/Ar500272N  1
2015 Christianson JR, Schmidt JR. Structural heterogeneity and dynamics of dyes on TiO2: implications for charge transfer across organic-inorganic interfaces. Physical Chemistry Chemical Physics : Pccp. 17: 3731-40. PMID 25557767 DOI: 10.1039/C4Cp04814H  1
2015 Vadas J, Steinbach TK, Schmidt J, Singh V, Haycraft C, Hudan S, Desouza RT, Baby LT, Kuvin SA, Wiedenhöver I. Evidence for survival of the α cluster structure in light nuclei through the fusion process Physical Review C - Nuclear Physics. 92. DOI: 10.1103/Physrevc.92.064610  1
2015 Hermes ED, Jenness GR, Schmidt JR. Decoupling the electronic, geometric and interfacial contributions to support effects in heterogeneous catalysis Molecular Simulation. 41: 123-133. DOI: 10.1080/08927022.2014.926549  1
2015 Dunnington BD, Schmidt JR. A projection-free method for representing plane-wave DFT results in an atom-centered basis Journal of Chemical Physics. 143. DOI: 10.1063/1.4930015  1
2015 Cabán-Acevedo M, Stone ML, Schmidt JR, Thomas JG, Ding Q, Chang HC, Tsai ML, He JH, Jin S. Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide Nature Materials. DOI: 10.1038/nmat4410  0.04
2015 Tafazolian H, Samblanet DC, Schmidt JAR. Electronic role of 3-iminophosphine ligands in palladium-catalyzed intermolecular hydroamination Organometallics. 34: 1809-1817. DOI: 10.1021/Om500792K  0.01
2015 McDaniel JG, Li S, Tylianakis E, Snurr RQ, Schmidt JR. Evaluation of force field performance for high-throughput screening of gas uptake in metal-organic frameworks Journal of Physical Chemistry C. 119: 3143-3152. DOI: 10.1021/Jp511674W  1
2015 Fitzgerald SA, Schloss JM, Pierce CJ, Thompson B, Rowsell JLC, Yu K, Schmidt JR. Insights into the anomalous vibrational frequency shifts of CO2 adsorbed to metal sites in microporous frameworks Journal of Physical Chemistry C. 119: 5293-5300. DOI: 10.1021/Jp5104356  1
2015 Dunnington BD, Schmidt JR. Molecular bonding-based descriptors for surface adsorption and reactivity Journal of Catalysis. 324: 50-58. DOI: 10.1016/J.Jcat.2015.01.017  1
2015 Asarta CJ, Schmidt JR. The choice of reduced seat time in a blended course Internet and Higher Education. 27: 24-31. DOI: 10.1016/j.iheduc.2015.04.006  0.01
2014 Choi E, McDaniel JG, Schmidt JR, Yethiraj A. First-Principles, Physically Motivated Force Field for the Ionic Liquid [BMIM][BF4]. The Journal of Physical Chemistry Letters. 5: 2670-4. PMID 26277961 DOI: 10.1021/Jz5010945  1
2014 Schmidt JR. Contingency and congruency switch in the congruency sequence effect: a reply to Blais, Stefanidi, and Brewer (2014). Frontiers in Psychology. 5: 1405. PMID 25538655 DOI: 10.3389/Fpsyg.2014.01405  0.01
2014 Schmidt JR, Wilhelm SW, Boyer GL. The fate of microcystins in the environment and challenges for monitoring. Toxins. 6: 3354-87. PMID 25514094 DOI: 10.3390/Toxins6123354  0.04
2014 Schmidt JR, De Schryver M, Weissman DH. Removing the influence of feature repetitions on the congruency sequence effect: why regressing out confounds from a nested design will often fall short. Journal of Experimental Psychology. Human Perception and Performance. 40: 2392-402. PMID 25419672 DOI: 10.1037/A0038073  0.01
2014 Schmidt JR, Lemercier C, De Houwer J. Context-specific temporal learning with non-conflict stimuli: proof-of-principle for a learning account of context-specific proportion congruent effects. Frontiers in Psychology. 5: 1241. PMID 25400614 DOI: 10.3389/Fpsyg.2014.01241  0.01
2014 Corcelli SA, Laird BB, Saven JG, Schmidt JR. Tribute to James L. Skinner. The Journal of Physical Chemistry. B. 118: 7669-70. PMID 25031097 DOI: 10.1021/Jp5035486  0.84
2014 Zhang X, Meng F, Christianson JR, Arroyo-Torres C, Lukowski MA, Liang D, Schmidt JR, Jin S. Vertical heterostructures of layered metal chalcogenides by van der Waals epitaxy. Nano Letters. 14: 3047-54. PMID 24798138 DOI: 10.1021/Nl501000K  1
2014 McDaniel JG, Schmidt JR. First-principles many-body force fields from the gas phase to liquid: a "universal" approach. The Journal of Physical Chemistry. B. 118: 8042-53. PMID 24655231 DOI: 10.1021/Jp501128W  1
2014 Christianson JR, Zhu D, Hamers RJ, Schmidt JR. Mechanism of N2 reduction to NH3 by aqueous solvated electrons. The Journal of Physical Chemistry. B. 118: 195-203. PMID 24320049 DOI: 10.1021/Jp406535P  1
2014 Steinbach TK, Vadas J, Schmidt J, Haycraft C, Hudan S, Desouza RT, Baby LT, Kuvin SA, Wiedenhöver I, Umar AS, Oberacker VE. Sub-barrier enhancement of fusion as compared to a microscopic method in O 18 + C 12 Physical Review C - Nuclear Physics. 90. DOI: 10.1103/Physrevc.90.041603  1
2014 Choi E, McDaniel JG, Schmidt JR, Yethiraj A. First-principles, physically motivated force field for the ionic liquid [BMIM][BF4] Journal of Physical Chemistry Letters. 5: 2670-2674. DOI: 10.1021/jz5010945  1
2014 Laaser JE, Christianson JR, Oudenhoven TA, Joo Y, Gopalan P, Schmidt JR, Zanni MT. Dye self-association identified by intermolecular couplings between vibrational modes as revealed by infrared spectroscopy, and implications for electron injection Journal of Physical Chemistry C. 118: 5854-5861. DOI: 10.1021/Jp412402V  1
2013 Carr JK, Buchanan LE, Schmidt JR, Zanni MT, Skinner JL. Structure and dynamics of urea/water mixtures investigated by vibrational spectroscopy and molecular dynamics simulation. The Journal of Physical Chemistry. B. 117: 13291-300. PMID 23841646 DOI: 10.1021/Jp4037217  1
2013 Schmidt J, Kass SR. Zwitterion vs neutral structures of amino acids stabilized by a negatively charged site: infrared photodissociation and computations of proline-chloride anion. The Journal of Physical Chemistry. A. 117: 4863-9. PMID 23697625 DOI: 10.1021/Jp402267C  1
2013 Galeev TR, Dunnington BD, Schmidt JR, Boldyrev AI. Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems. Physical Chemistry Chemical Physics : Pccp. 15: 5022-9. PMID 23443061 DOI: 10.1039/C3Cp50350J  1
2013 McDaniel JG, Schmidt JR. Physically-motivated force fields from symmetry-adapted perturbation theory. The Journal of Physical Chemistry. A. 117: 2053-66. PMID 23343200 DOI: 10.1021/Jp3108182  1
2013 Beck JF, Samblanet DC, Schmidt JAR. Palladium catalyzed intermolecular hydroamination of 1-substituted allenes: An atom-economical method for the synthesis of N-allylamines Rsc Advances. 3: 20708-20718. DOI: 10.1039/C3Ra43870H  0.01
2013 Zingales NC, Shaffer AR, Schmidt JAR. Investigation of steric and electronic features of 3-iminophosphine-based palladium catalysts for intermolecular hydroamination Organometallics. 32: 578-586. DOI: 10.1021/Om301102W  0.01
2013 Behrle AC, Schmidt JAR. Insertion reactions and catalytic hydrophosphination of heterocumulenes using α-metalated N, N-dimethylbenzylamine rare-earth-metal complexes Organometallics. 32: 1141-1149. DOI: 10.1021/Om300807K  0.01
2013 McDaniel JG, Yu K, Schmidt JR. Microscopic origins of enhanced gas adsorption and selectivity in mixed-linker metal-organic frameworks Journal of Physical Chemistry C. 117: 17131-17142. DOI: 10.1021/Jp405857P  1
2013 Yu K, Schmidt JR. Comment on "how well do metal-organic frameworks tolerate flue gas impurities?" Journal of Physical Chemistry C. 117: 3192. DOI: 10.1021/Jp3126413  1
2013 Jenness GR, Schmidt JR. Unraveling the role of metal-support interactions in heterogeneous catalysis: Oxygenate selectivity in Fischer-Tropsch synthesis Acs Catalysis. 3: 2881-2890. DOI: 10.1021/Cs4006277  1
2013 Shan J, Chakradhar A, Anderson K, Schmidt J, Dhuey S, Burghaus U. Butane adsorption on silica supported MoOx clusters nanofabricated by electron beam lithography Acs Symposium Series. 1140: 295-310. DOI: 10.1021/bk-2013-1140.ch012  1
2013 Garcia P, Payne PR, Chong E, Webster RL, Barron BJ, Behrle AC, Schmidt JAR, Schafer LL. Easily assembled, modular N,O-chelating ligands for Ta(V) complexation: A comparative study of ligand effects in hydroaminoalkylation with N-methylaniline and 4-methoxy-N-methylaniline Tetrahedron. 69: 5737-5743. DOI: 10.1016/J.Tet.2013.04.070  0.01
2013 Mashl RJ, Acs B, Wiziecki EN, Schmidt JR, Polik WF. Enhancing chemistry teaching and learning through computational tools: A computational chemistry cloud prototype using WebMO Imsci 2013 - 7th International Multi-Conference On Society, Cybernetics and Informatics, Proceedings. 6-9.  1
2012 Dunnington BD, Schmidt JR. Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory. Journal of Chemical Theory and Computation. 8: 1902-11. PMID 26593824 DOI: 10.1021/Ct300002T  1
2012 Yu K, McDaniel JG, Schmidt JR. An efficient multi-scale lattice model approach to screening nano-porous adsorbents. The Journal of Chemical Physics. 137: 244102. PMID 23277923 DOI: 10.1063/1.4769879  1
2012 Beletskiy EV, Schmidt J, Wang XB, Kass SR. Three hydrogen bond donor catalysts: oxyanion hole mimics and transition state analogues. Journal of the American Chemical Society. 134: 18534-7. PMID 23113730 DOI: 10.1021/Ja3085862  1
2012 Shokri A, Schmidt J, Wang XB, Kass SR. Characterization of a saturated and flexible aliphatic polyol anion receptor. Journal of the American Chemical Society. 134: 16944-7. PMID 23030516 DOI: 10.1021/Ja3075456  1
2012 Largent RJ, Polik WF, Schmidt JR. Symmetrizer: algorithmic determination of point groups in nearly symmetric molecules. Journal of Computational Chemistry. 33: 1637-42. PMID 22549414 DOI: 10.1002/Jcc.22995  1
2012 Yu K, Schmidt JR. Many-body effects are essential in a physically motivated CO2 force field. The Journal of Chemical Physics. 136: 034503. PMID 22280763 DOI: 10.1063/1.3672810  1
2012 Shokri A, Schmidt J, Wang XB, Kass SR. Hydrogen bonded arrays: the power of multiple hydrogen bonds. Journal of the American Chemical Society. 134: 2094-9. PMID 22239658 DOI: 10.1021/Ja2081907  1
2012 Yu K, Kiesling K, Schmidt JR. Trace flue gas contaminants poison coordinatively unsaturated metal-organic frameworks: Implications for CO 2 adsorption and separation Journal of Physical Chemistry C. 116: 20480-20488. DOI: 10.1021/Jp307894E  1
2012 McDaniel JG, Schmidt JR. Robust, transferable, and physically motivated force fields for gas adsorption in functionalized zeolitic imidazolate frameworks Journal of Physical Chemistry C. 116: 14031-14039. DOI: 10.1021/Jp303790R  1
2012 McDaniel JG, Yu K, Schmidt JR. Ab initio, physically motivated force fields for CO 2 adsorption in zeolitic imidazolate frameworks Journal of Physical Chemistry C. 116: 1892-1903. DOI: 10.1021/Jp209335Y  1
2012 Samblanet DC, Schmidt JAR. Efficient catalytic aryl amination of bromoarenes using 3-iminophosphine palladium(II) chloride Journal of Organometallic Chemistry. 720: 7-18. DOI: 10.1016/j.jorganchem.2012.08.027  0.01
2011 Schmidt JR, Krugner-Higby L, Heath TD, Sullivan R, Smith LJ. Epidural administration of liposome-encapsulated hydromorphone provides extended analgesia in a rodent model of stifle arthritis. Journal of the American Association For Laboratory Animal Science : Jaalas. 50: 507-12. PMID 21838980  0.01
2011 Yu K, McDaniel JG, Schmidt JR. Physically motivated, robust, ab initio force fields for CO2 and N2. The Journal of Physical Chemistry. B. 115: 10054-63. PMID 21736354 DOI: 10.1021/Jp204563N  1
2011 Schmidt J, Meyer MM, Spector I, Kass SR. Infrared multiphoton dissociation spectroscopy study of protonated p-aminobenzoic acid: does electrospray ionization afford the amino- or carboxy-protonated ion? The Journal of Physical Chemistry. A. 115: 7625-32. PMID 21615176 DOI: 10.1021/Jp203829Z  1
2011 Yu K, Schmidt JR. Elucidating the crystal face- and hydration-dependent catalytic activity of hydrotalcites in biodiesel production Acs National Meeting Book of Abstracts. DOI: 10.1021/Jp105849D  1
2011 Chakradhar A, Liu Y, Schmidt J, Kadossov E, Burghaus U. Adsorption and dissociation kinetics of alkanes on CaO(100) Surface Science. 605: 1534-1540. DOI: 10.1016/J.Susc.2011.05.022  1
2011 Yu K, McDaniel J, Schmidt JR. Understanding the adsorption capacity and selectivity of zeolitic metal-organic frameworks (ZIFs) in flue gas separation: Development and application of physically-motivated first-principles force field for the CO 2/ZIF interaction Acs National Meeting Book of Abstracts 1
2010 Paoprasert P, Laaser JE, Xiong W, Franking RA, Hamers RJ, Zanni MT, Schmidt JR, Gopalan P. Bridge-dependent interfacial electron transfer from rhenium-bipyridine complexes to TiO2 nanocrystalline thin films Journal of Physical Chemistry C. 114: 9898-9907. DOI: 10.1021/Jp102022D  1
2009 Mateljevic N, Kerwin J, Roy S, Schmidt JR, Tully JC. Accommodation of gases at rough surfaces Journal of Physical Chemistry C. 113: 2360-2367. DOI: 10.1021/Jp8077634  1
2008 Schmidt JR, Shenvi N, Tully JC. Controlling spin contamination using constrained density functional theory. The Journal of Chemical Physics. 129: 114110. PMID 19044953 DOI: 10.1063/1.2978168  1
2008 Zwickl J, Shenvi N, Schmidt JR, Tully JC. Transition state barriers in multidimensional Marcus theory. The Journal of Physical Chemistry. A. 112: 10570-9. PMID 18826200 DOI: 10.1021/Jp805065G  1
2008 Schmidt JR, Parandekar PV, Tully JC. Mixed quantum-classical equilibrium: Surface hopping. The Journal of Chemical Physics. 129: 044104. PMID 18681631 DOI: 10.1063/1.2955564  1
2008 Schmidt JR, Corcelli SA. Infrared absorption line shapes in the classical limit: a comparison of the classical dipole and fluctuating frequency approximations. The Journal of Chemical Physics. 128: 184504. PMID 18532823 DOI: 10.1063/1.2917349  1
2008 Shenvi N, Schmidt JR, Edwards ST, Tully JC. Efficient discretization of the continuum through complex contour deformation Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/Physreva.78.022502  1
2007 Schmidt JR, Tully JC. Path-integral simulations beyond the adiabatic approximation. The Journal of Chemical Physics. 127: 094103. PMID 17824728 DOI: 10.1063/1.2757170  1
2007 Auer B, Kumar R, Schmidt JR, Skinner JL. Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute HOD in liquid D2O. Proceedings of the National Academy of Sciences of the United States of America. 104: 14215-20. PMID 17576923 DOI: 10.1073/Pnas.0701482104  1
2007 Kumar R, Schmidt JR, Skinner JL. Hydrogen bonding definitions and dynamics in liquid water. The Journal of Chemical Physics. 126: 204107. PMID 17552754 DOI: 10.1063/1.2742385  1
2007 Ballicora MA, Erben ED, Yazaki T, Bertolo AL, Demonte AM, Schmidt JR, Aleanzi M, Bejar CM, Figueroa CM, Fusari CM, Iglesias AA, Preiss J. Identification of regions critically affecting kinetics and allosteric regulation of the Escherichia coli ADP-glucose pyrophosphorylase by modeling and pentapeptide-scanning mutagenesis. Journal of Bacteriology. 189: 5325-33. PMID 17496097 DOI: 10.1128/Jb.00481-07  0.01
2007 Schmidt JR, Roberts ST, Loparo JJ, Tokmakoff A, Fayer MD, Skinner JL. Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments? Chemical Physics. 341: 143-157. DOI: 10.1016/J.Chemphys.2007.06.043  1
2006 Li S, Schmidt JR, Skinner JL. Vibrational energy relaxation of azide in water. The Journal of Chemical Physics. 125: 244507. PMID 17199355 DOI: 10.1063/1.2408421  1
2006 Li S, Schmidt JR, Piryatinski A, Lawrence CP, Skinner JL. Vibrational spectral diffusion of azide in water. The Journal of Physical Chemistry. B. 110: 18933-8. PMID 16986886 DOI: 10.1021/Jp057568K  1
2006 Li S, Schmidt JR, Corcelli SA, Lawrence CP, Skinner JL. Approaches for the calculation of vibrational frequencies in liquids: comparison to benchmarks for azide/water clusters. The Journal of Chemical Physics. 124: 204110. PMID 16774322 DOI: 10.1063/1.2200690  1
2005 Schmidt JR, Corcelli SA, Skinner JL. Pronounced non-Condon effects in the ultrafast infrared spectroscopy of water. The Journal of Chemical Physics. 123: 044513. PMID 16095375 DOI: 10.1063/1.1961472  1
2004 Schmidt JR, Corcelli SA, Skinner JL. Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches. The Journal of Chemical Physics. 121: 8887-96. PMID 15527353 DOI: 10.1063/1.1791632  1
2004 Schmidt JR, Skinner JL. Brownian motion of a rough sphere and the Stokes-Einstein law Journal of Physical Chemistry B. 108: 6767-6771. DOI: 10.1021/Jp037185R  1
2003 Schmidt JR, Skinner JL. Hydrodynamic boundary conditions, the Stokes-Einstein law, and long-time tails in the Brownian limit Journal of Chemical Physics. 119: 8062-8068. DOI: 10.1063/1.1610442  1
2003 Schmidt JR, Sundlass N, Skinner JL. Line shapes and photon echoes within a generalized Kubo model Chemical Physics Letters. 378: 559-566. DOI: 10.1016/S0009-2614(03)01317-4  1
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