The Jensen Group

jensen@chem.psu.edu

Publications

For the most up-to-date information on our publications, please visit this link.

Articles

  1. S. Chowdhury, G. Hu, I.M. Jensen, A.V.B. Santos, D.M. Jenkins, L. Jensen, J.P. Camden
    Vibrational Mode Assignment of Diisopropyl Benzimidazolium N-Heterocyclic Carbenes on Gold
    J. Phys. Chem. C 2024, 128, 32, 13550–13557

  2. Gaohe Hu, Pengchong Liu, Lasse Jensen
    Calculating Molecular Polarizabilities Using Exact Frozen Density Embedding with External Orthogonality
    J. Chem. Theory Comput. 2024

  3. Imran Chaudhry, Gaohe Hu, Hepeng Ye, Lasse Jensen
    Toward Modeling the Complexity of the Chemical Mechanism in SERS
    ACS Nano 2024, 18, 32, 20835–20850

  4.  Mark J Bronson Jr, Lasse Jensen
    A recursive cell multipole method for atomistic electrodynamics models
    J. Chem. Phys. 160, 024121 (2024)

  5. Hepeng Ye, Jeffrey C. Becca, Lasse Jensen
    Modeling the near-field effect on molecular excited states using the discrete interaction model/quantum mechanical method
    J. Chem. Phys. 160, 014707 (2024)

  6. Zacharias Liasi, Lasse Jensen, Kurt V. Mikkelsen
    A Combined Quantum Mechanics and Molecular Mechanics Approach for Simulating the Optical Properties of DNA-Stabilized Silver Nanoclusters
    J. Chem. Theory Comput. 2024, 20, 2, 937–945

  7. R. Li, I. Chaudhry, C. Tseng, S. Weng, Y. Wang, B. Zhao, I. Aravind, Z. Cai, J. Dawlaty, L. Jensen, S.B. Cronin
    SERS Detection of Charge Transfer at Electrochemical Interfaces Using Surface-Bound Ferrocene
    J. Phys. Chem. C, 127, 29, 14263–14269, 2023
  8. Zacharias Liasi, Andreas Erbs Hillers-Bendtsen, Lasse Jensen, and Kurt V. Mikkelsen
    Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster
    J. Phys. Chem. Lett. 14 (25), 5727-5733, 2023
  9. Ran Chen and Lasse Jensen
    Interpreting chemical enhancements of surface-enhanced Raman scattering
    Chem. Phys. Rev., 2, 2023
  10. Rebekah L. Thimes, et al.
    Using Surface-Enhanced Raman Spectroscopy to Unravel the Wingtip-Dependent Orientation of N-Heterocyclic Carbenes on Gold Nanoparticles
    J. Phys. Chem. Lett., 18, 4219-4224, 2022
  11. Ran Chen and Lasse Jensen
    Understanding chemical enhancements of surface-enhanced Raman scattering using a Raman bond model for extended systems
    J. Chem. Phys., 14, 2022
  12. Julien H. Arrizabalagaa, et al.
    Development of magnetic nanoparticles for the intracellular delivery of miR-148b in non-small cell lung cancer
    Biomed. Eng. Adv., 3, 2022

  13. Nathaniel L. Dominique, et al. 
    Ad aurum: tunable transfer of N-heterocyclic carbene complexes to gold surfaces
    Inorg. Chem. Front., 9, 6279-6287, 2022

  14. Aparna K Harshan, Mark J Bronson Jr, and Lasse Jensen
    Local-Field Effects in Linear Response Properties within a Polarizable Frozen Density Embedding Method
     J. Chem. Theory. Comput., 18 (1), 380-393, 2022
  15. Julien H.Arrizabalaga, et al.
    Comparison of thermoresponsive Diels-Alder linkers for the release of payloads from magnetic nanoparticles via hysteretic heating
    JCIS Open, 4, 100034, 2021.
  16. Jeffrey C. Becca, Xing Chen, and Lasse Jensen
    A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy in solution
    J. Chem. Phys., 154, 224705, 2021.
  17. Shujin Li, et al.
    Monitoring Reaction Intermediates in Plasma-Driven SO2, NO, and NO2 Remediation Chemistry Using In Situ SERS Spectroscopy
    Anal. Chem., 93, 6421–6427, 2021.
  18. Jacob E. Olson, et al.
    Surface-enhanced hyper-Raman scattering of Rhodamine 6G isotopologues: Assignment of lower vibrational frequencies
    J. Chem. Phys., 154, 034703, 2021.
  19. Ran Chen and Lasse Jensen
    Quantifying the enhancement mechanisms of surface-enhanced Raman scattering using a Raman bond model
    J. Chem. Phys., 153, 224704, 2020.
  20. Haotian Shi, et al.
    Monitoring Local Electric Fields using Stark Shifts on Napthyl Nitrile-Functionalized Silicon Photoelectrodes
    J. Phys. Chem. C, 124, 17000–17005, 2020.
  21. E. Aprà, et al.
    NWChem: Past, present, and future
    J. Chem. Phys., 152, 184102, 2020.
  22. Dr. Joseph F. DeJesus, Lindy M. Sherman, Darius J. Yohannan, Jeffrey C. Becca, Shelby L. Strausser, Leonhard F. P. Karger, Dr. Lasse Jensen, Dr. David M. Jenkins, Dr. Jon P. Camden
    A Benchtop Method for Appending Protic Functional Groups to N‐Heterocyclic Carbene Protected Gold Nanoparticles
    Angew. Chem., 59, 7585-7590, 2020.
  23. Jonathan S.Casey, Julien H.Arrizabalaga, MohammadAbu-Laban, Jeffrey C.Becca, Benjamin J.Rose, Kevin T.Strickland, Jacob B.Bursavich, Jacob S.McCann, Carlos N.Pacheco, Lasse Jensen, Anilchandra Attaluri, Daniel J.Hayes
    Alternating magnetic field mediated release of fluorophores from magnetic nanoparticles by hysteretic heating
    J. Colloid Interface Sci., 571, 348-355, 2020.
  24. Ran Chen and Lasse Jensen
    Interpreting the chemical mechanism in SERS using a Raman bond model
    J. Chem. Phys., 152, 024126, 2020.
  25. P. P. Pal, P. Liu, L. Jensen
    Polarizable Frozen Density Embedding with External Orthogonalization
    J. Chem. Theory. Comp., 15, 6588-6596, 2019.
  26. H. Shi, B. Zhao, J. Ma, M. J. Bronson, Z. Cai, J. Chen, Y. Wang, M. Cronin, L. Jensen, S. B. Cronin
    Measuring Local Electric Fields and Local Charge Densities at Electrode Surfaces using Graphene-enhanced Raman Spectroscopy (GERS)-based Stark-shifts
    ACS Appl. Mater. Interfaces, 11, 36252-36258, 2019.
  27. P. Liu*, X. Chen*, H. Ye, L. Jensen
    Resolving Molecular Structures with High-Resolution Tip-Enhanced Raman Scattering Images
    ACS Nano, 13, 9342-9351, 2019.
  28. X. Chen*, P.Liu*, L. Jensen
    High-resolution tip-enhanced Raman scattering probes sub-molecular density changes
    Nat. Comms. 10, 2567, 2019.
  29. X. Chen, P.Liu, L. Jensen
    Atomistic electrodynamics simulations of plasmonic nanoparticles
    J. Phys. D.: Appl. Phys. 52, 363002, 2019.
    Invited review article

  30. P. Liu, D. V. Chulhai, L. Jensen
    Atomistic Characterization of Plasmonic Dimers in the Quantum Size Regime
    J. Phys. Chem. C. 123, 13900-13907, 2019
  31. M. Raab, J. C. Becca, J. Heo, C. K. Lim, A. Baev, L. Jensen, P. N. Prasad, and L. Velarde
    Doubly resonant sum frequency spectroscopy of mixed photochromic isomers on surfaces reveals conformation-specific vibronic effects
    J. Chem. Phys. 150, 114704, 2019
  32. M. J. Trujillo, S. L. Strausser, J. C. Becca, J. F. DeJesus, L. Jensen, D. M. Jenkins, J. P. Camden
    Using SERS To Understand the Binding of N-Heterocyclic Carbenes to Gold Surfaces
    J. Phys. Chem. Lett., 9, 6779–6785, 2018
  33. Z. Hu, L. Jensen
    A Discrete Interaction Model/Quantum Mechanical Method for Simulating Plasmon-Enhanced Two-Photon Absorption
    J. Chem. Theory Comput., 14, 5896–5903, 2018
  34. J.E. Olson, A. Tripp, M.K. Linder, Z. Hu, M.R. Detty, L. Jensen, J.P. Camden
    Non-Condon Effects in the Resonance Hyper-Raman Scattering of Chalcogen-Substituted Rhodamine Derivatives
    J. Phys. Chem. C., 122, 25051-25058, 2018
  35. M. Abu-Laban, R. R. Kumal, J. Casey, J. Becca, D. LaMaster, C. N. Pacheco, D. G. Sykes, L. Jensen, L. H. Haber, D. J. Hayes
    Comparison of thermally actuated retro-diels-alder release groups for nanoparticle based nucleic acid delivery
    J. Colloid Interface Sci., 526, 312-321, 2018
  36. J. Lee, N. Tallarida, X. Chen, L. Jensen, V. A. Apkarian
    Microscopy with a single-molecule scanning electrometer
    Science Advances, 4, eaat5472, 2018
  37. X. Chen, L. Jensen
    Morphology dependent near-field response in atomistic plasmonic nanocavities
    Nanoscale, 2018, 10, 11410-11417, 2018
  38. J. Lee, N. Tallarida, X. Chen, P. Liu, L. Jensen,  V. A. Apkarian
    Tip-Enhanced Raman Spectromicroscopy of Co(II)-Tetraphenylporphyrin on Au(111): Toward the Chemists’ Microscope
    ACS Nano, 11, 11466–11474, 2017     
  39. X. Chen, C. M. Lee, F. Wang, L. Jensen, S. H. Kim
    Experimental and Theoretical Study of Azimuth Angle and Polarization Dependences of Sum-Frequency-Generation Vibrational Spectral Features of Uniaxially Aligned Cellulose Crystals
    J. Phys. Chem. C, 121, 18876-18886, 2017
  40. P. Liu, D. V. Chulhai, L. Jensen
    Single-Molecule Imaging Using Atomistic Near-Field Tip-Enhanced Raman Spectroscopy
    ACS Nano, 11, 5094-5102, 2017
  41. H. K. Turley, Z. Hu, L. Jensen, J. P. Camden
    Surface-Enhanced Resonance Hyper-Raman Scattering Elucidates the Molecular Orientation of Rhodamine 6G on Silver Colloids
    J. Phys. Chem. Lett, 8, 1819-1823, 2017
  42. E. H. Witlicki, S. Bähring, C. Johnsen, M. V. Solano, K. A. Nielsen, D. W. Silverstein, C. W. Marlatt, L. Jensen, J. O. Jeppesen, A. H. Flood
    Enhanced detection of explosives by turn-on resonance Raman upon host–guest complexation in solution and the solid state
     Chem. Comm., 53, 10918-10921, 2017
  43. Z. Hu, L. Jensen
    Importance of Double-Resonance Effects in Two-Photon Absorption Properties of Au25(SR)18−
     Chem. Sci., 8, 4595-4601, 2017
  44. M. Mattei, G. Kang, G. Goubert, D. V. Chulhai, G. C. Schatz, L. Jensen, R. P. Van Duyne
    Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling
    Nano Lett., 17, 590-596, 2017nl_asap
  45. C. M. Lee, X. Chen, P. A. Weiss, L. Jensen, S. H. Kim
    Quantum Mechanical Calculations of Vibrational Sum-Frequency-Generation (SFG) Spectra of Cellulose: Dependence of the CH and OH Peak Intensity on the Polarity of Cellulose Chains within the SFG Coherence Domain
    J. Phys. Chem. Lett., 8, 55-60, 2017 jpcl_8_55
  46. A. Cirri, A. Silakov, L. Jensen, B. J. Lear
    Chain Length and Solvent Control over the Electronic Properties of Alkanethiolate-Protected Gold Nanoparticles at the Molecule-to-Metal Transition
    J. Am. Chem. Soc., 138, 15987-15993, 2016jacs_138_15987
  47. Z. Hu, D. V. Chulhai, L. Jensen
    Simulating Surface-Enhanced Hyper-Raman Scattering Using Atomistic Electrodynamics-Quantum Mechanical Models
    J. Chem. Theory Comput., 12, 5968-5978, 2016jctc_12_5968
  48. N. Chiang, X. Chen, G. Goubert, D. V. Chulhai, X. Chen, E. A. Pozzi, N. Jiang, M. C. Hersam, T. Seideman, L. Jensen, R. P. Van Duyne
    Conformational Contrast of Surface-Mediated Molecular Switches Yields Ångstrom-Scale Spatial Resolution in Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy
    Nano Lett., 16, 7774-7778, 2016nl_16_7774
  49. S. Zaleski, M. F. Cardinal, D. V. Chulhai, A. J. Wilson, K. A. Willets, L. Jensen, R. P. Van Duyne
    Toward Monitoring Electrochemical Reactions with Dual-Wavelength SERS: Characterization of Rhodamine 6G (R6G) Neutral Radical Species and Covalent Tethering of R6G to Silver Nanoparticles
    J. Phys. Chem. C, 120, 24982-24991, 2016 jpcc_oct13_2016
  50. D. V. Chulhai, Z. Hu, J. E. Moore, X. Chen, L. Jensen
    Theory of Linear and Nonlinear Surface-Enhanced Vibrational Spectroscopy
    Annu. Rev. Phys. Chem., 67, 541-564, 2016 arpc_67_541
  51. X. Chen, L. Jensen
    Understanding the shape effect on the plasmonic response of small ligand coated nanoparticles
    J. Opt.,18, 074009, 2016 jo_18_074009
  52. H. K. Turley, Z. Hu, D. W. Silverstein, D. A. Cooper, L. Jensen, J. P. Camden
    Probing Two-Photon Molecular Properties with Surface-Enhanced Hyper-Raman Scattering: A Combined Experimental and Theoretical Study of Crystal Violet
    J. Phys. Chem. C, 120, 20936-20942, 2016jpcc_120_20936
  53. D. V. Chulhai, X. Chen, L. Jensen
    Simulating Ensemble-Averaged Surface-Enhanced Raman Scattering
    J. Phys. Chem. C, 120, 20833–20842, 2016jpcc_120_20833
  54. J. E. Moore, L. Jensen
    Orbital Renormalization Effects on the Coupling between Molecular Excitations and Plasmons
    J. Phys. Chem. C, 120, 5659-5666, 2016jpcc_120_5659
  55. Z. Hu, J. Autschbach, L. Jensen
    Simulating Third-order Nonlinear Optical Properties Using Damped Cubic Response Theory within Time-Dependent Density Functional Theory
    J. Chem. Theory Comput., 12, 1294-1304, 2016jctc_12_1294
  56. A. Cirri, A. Silakov, L. Jensen, B. J. Lear
    Probing ligand-induced modulation of metallic states in small gold nanoparticles using conduction electron spin resonance
    Phys. Chem. Chem. Phys., 18,25443-25451, 2016pccp_18_25443
  57. D. V. Chulhai, L. Jensen
    External orthogonality in subsystem time-dependent density functional theory
    Phys. Chem. Chem. Phys., 18, 21032-21039, 2016pccp_18_21032
  58. P. D. Simmons Jr., H. K. Turley, D. W. Silverstein, L. Jensen, J. P. Camden
    Surface-Enhanced Spectroscopy for Higher-Order Light Scattering: A Combined Experimental and Theoretical Study of Second Hyper-Raman Scattering
    J. Phys. Chem. Lett.,6,5067,2015 jpcl_6_5067
  59. X. Chen, J. E. Moore, M. Zekarias, L. Jensen
    Atomistic electrodynamics simulations of bare and ligand-coated nanoparticles in the quantum size regime
    Nat. Commun., 6, 8921,2015natcomm_6_8921
  60. D. P. Veghte, J. E. Moore, L. Jensen, M. A. Freedman
    Influence of shape on the optical properties of hematite aerosol
    J. Geophys. Res-atmos., 120, 7025–7039, 2015 jgra_120_7025
  61. Y. Zhao, N. M. Vargas-Barbosa, M. E. Strayer, N. S. McCool, M-E. Pandelia, T. P. Saunders, J. R. Swierk, J. F. Callejas, L. Jensen, T. E. Mallouk
    Understanding the effect of monomeric iridium (III/IV) aquo complexes on the photoelectrochemistry of IrOx. nH2O–catalyzed water-splitting systems
    J. Am. Chem. Soc., 137, 8749–8757, 2015jacs_137_8749
  62. D. V. Chulhai, L. Jensen
    Frozen Density Embedding with External Orthogonality in Delocalized Covalent Systems
    J. Chem. Theory Comput., 11, 3080–3088, 2015jctc_11_3080
  63. Z. Wu, J. Mu, Q. Wang, X. Chen, L. Jensen, C. Yi, M. Li
    Hydroxyl and amino functionalized cyclometalated Ir(III) complexes: Synthesis, characterization and cytotoxicity studies
    J. Organomet. Chem., 791, 175–182, 2015
  64. N. Chiang, N. Jiang, D. V. Chulhai, E. Pozzi, M. Hersam, L. Jensen, T. Seideman, R. P. Van Duyne
    Molecular-Resolution Interrogation of a Porphyrin Monolayer by Ultrahigh Vacuum Tip-Enhanced Raman and Fluorescence Spectroscopy
    Nano Lett., 15, 4114–4120, 2015nl_15_4114
  65. D. V. Chulhai, L. Jensen
    Plasmonic Circular Dichroism of 310- and α-Helix Using a Discrete Interaction Model/Quantum Mechanics Method
    J. Phys. Chem. A, 119, 5218–5223, 2015jpca_119_5218
  66. Z. Hu, J. Autschbach, L. Jensen
    Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach
    J. Chem. Phys., 141, 124305, 2014jcp_141_124305
  67. D. V. Chulhai, L. Jensen
    Simulating Surface-Enhanced Raman Optical Activity Using Atomistic Electrodynamics- Quantum Mechanical Models
    J. Phys. Chem. A, 118, 9069–9079, 2014jpca_118_9069
  68. J. Klingsporn, N. Jiang, E. Pozzi, M. Sonntag, D. V. Chulhai, T. Seideman, L. Jensen, M. Hersam, R. P. Van Duyne
    Intramolecular Insight into Adsorbate-Substrate Interactions via Low Temperature, Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy
    J. Am. Chem. Soc., 136, 3881–3887, 2014jacs_136_3881
  69. P. A. Weiss, D. W. Silverstein, L. Jensen
    Non-condon effects on the doubly-resonant sum frequency generation of rhodamine 6G
    J. Phys. Chem. Lett., 5, 329–335, 2014jpcl_5_329
  70. J. L. Payton, S. M. Morton, J. E. Moore, L. Jensen
    A hybrid atomistic electrodynamics-quantum mechanical approach for simulating surface-enhanced Raman scattering
    Acc. Chem. Res., 47, 88-99, 2014acr_47_88
  71. D. W. Silverstein, N. Govind, H. Van Dam, L. Jensen
    Simulating one-photon absorption and resonance Raman scattering spectra using analytical excited state energy gradients within time-dependent density functional theory
    J. Chem. Theory Comput., 9, 5490-5503, 2013jctc_9_5490
  72. M. D. Sonntag, D. V. Chulhai, T. Seideman, L. Jensen, R. P. Van Duyne
    The Origin of Relative Intensity Fluctuations in Single-Molecule Tip-Enhanced Raman Spectroscopy
    J. Am. Chem. Soc., 135, 17187-17192, 2013jacs_135_17187
  73. D. W. Silverstein, C. B. Milojevich, J. P. Camden, L. Jensen
    Investigation of Linear and Nonlinear Raman Scattering for Isotopologues of  Ru(bpy)32+
    J. Phys. Chem. C, 117, 20855–20866, 2013jpcc_117_20855
  74. D. V. Chulhai, L. Jensen
    Determining molecular orientation with surface-enhanced Raman scattering using inhomogenous electric fields
    J. Phys. Chem. C, 117, 19622-19631, 2013jpcc_117_19622
  75. J. M. Rinaldi, S. M. Morton, L. Jensen
    A Discrete Interaction Model/Quantum Mechanical Method for simulating nonlinear optical properties of molecules near metal surfaces
    Mol. Phys., 111, 1322–1331, 2013mp_111_1322
  76. S. Mandal, J. Wang, R. E. Winans, L. Jensen, A. Sen
    Quantum Size Effects in the Optical Properties of Ligand Stabilized Aluminum Nanocluster
    J. Phys. Chem. C, 117, 6741–6746, 2013jpcc_117_6741
  77. A. N. Giordano, S. M. Morton, L. Jensen, B. J. Lear
    A Direct Test of the Equivalency of Dynamic IR and Dynamic Raman Spectroscopies as Techniques for Observing Ultrafast Molecular Dynamics
    J. Phys. Chem. A, 117, 2067–2074, 2013jpca_117_2067
  78. B. K. Pathem, Y. B. Zheng, S. Morton, M. A. Petersen, C.-H. Chung, Y. Yang, L. Jensen, M. B. Nielsen, P. S. Weiss
    Photoreaction of Matrix-Isolated Dihydroazulene-Functionalized Molecules on Au{111}
    Nano Lett., 13, 337–343, 2013nl_13_337
  79. C. B. Milojevich, D. W. Silverstein, L. Jensen, J. P. Camden
    Surface-Enhanced Hyper-Raman Scattering Elucidates the Two-Photon Absorption Spectrum of Rhodamine 6G
    J. Phys. Chem. C, 117, 3046–3054, 2013jpcc_117_3046
  80. Q. Hao, S. M. Morton, B. Wang, Y. Zhao, L. Jensen, Tony Jun Huang
    Tuning Surface-Enhanced Raman Scattering from Graphene Substrates using the Electric Field Effect and Chemical Doping
    App. Phys. Lett., 102, 011102, 2013apl_102_11102
  81. Y. B. Zheng, J. L. Payton, T.-B. Song, B. K. Pathem, Y. Zhao, H. Ma, Y. Yang, L. Jensen, A. K.-Y. Jen, P. S. Weiss
    Surface-Enhanced Raman Spectroscopy to Probe Photoreaction Pathways and Kinetics of Isolated Reactants on Surfaces: Flat vs. Curved Substrates
    Nano Lett., 12, 5362-5368, 2012nl_12_5362
  82. J. E. Moore, S. M. Morton, L. Jensen
    Importance of Correctly Describing Charge-transfer Excitations for Understanding the Chemical Effect in SERS
    J. Phys. Chem. Lett., 3, 2470-2475, 2012jpcl_3_2470
  83. B. K. Pathem, Y. B. Zheng, J. L. Payton, T.-B. Song, B.-C. Yu, J. M. Tour, Y. Yang, L. Jensen, P. S. Weiss
    Effect of Tether Conductivity on the Efficiency of Photoisomerization of Azobenzene–Functionalized Molecules on Au{111}
    J. Phys. Chem. Lett., 3, 2388-2394, 2012jpcl_3_2388
  84. J. L. Payton, S. M. Morton, J. E. Moore, L. Jensen
    A Discrete Interaction Model/Quantum Mechanical Method for Simulating Surface-Enhanced Raman Spectroscopy
    J. Chem. Phys., 136, 214103, 2012jcp_136_214103
  85. K. M. Schmid, L. Jensen, S. T. Phillips
    A Self-Immolative Spacer that Enables Tunable Controlled Release of Phenols under Neutral Conditions
    J. Org. Chem., 77, 4363-4374, 2012joc_77_4363
  86. Q. Hao, B. Wang, J. Bossard, B. Kiraly, Y. Zeng, I.-K. Chiang, L. Jensen, D. Werner, T. J. Huang
    Surface-Enhanced Raman Scattering Study on Graphene Coated Metallic Nanostructure Substrates
    J. Phys. Chem. C., 116, 7249-7254, 2012
    Featured on the cover.jpccck_v116i013.inddjpcc_116_7249
  87. D. W. Silverstein, L. Jensen
    Vibronic Coupling Simulations for Linear and Nonlinear Optical Processes: Simulation Results
    J. Chem. Phys., 136, 064110, 2012jcp_136_064110
  88. D. W. Silverstein, L. Jensen
    Vibronic Coupling Simulations for Linear and Nonlinear Optical Processes: Theory
    J. Chem. Phys., 136, 064111, 2012jcp_136_064111
  89. M. Sonntag, J. Klingsporn, L. Garibay, J. Roberts, J. Dieringer, T. Seideman, K. Scheidt, L. Jensen, G. C. Schatz, R. Van Duyne
    Single Molecule Tip Enhanced Raman Spectroscopy
    J. Phys. Chem. C., 116, 478-483, 2012jpcc_116_478
  90. S. M. Morton, L. Jensen
    A Discrete Interaction Model/Quantum Mechanical Method to Describe the Interaction of Metal Nanoparticles and Molecular Absorption
    J. Chem. Phys., 135, 134103, 2011jcp_135_134103
  91. C. B. Milojevich, D. W. Silverstein, L. Jensen, J. P. Camden
    Probing Two-Photon Properties of Molecules: Large Non-Condon Effects Dominate the Resonance Hyper-Raman Scattering of Rhodamine 6G
    J. Am. Chem. Soc., 133, 14590-14592, 2011jacs_133_14590
  92. Y. B. Zheng, J. L Payton, C. H. Chung, R. Liu, S. Cheunkar, B. K. Pathem, Y. Yang, L. Jensen, P. S. Weiss
    Surface-Enhanced Raman Spectroscopy to Probe Reversible Photoswitchable Azoben-zene in Controlled Nanoscale Environments
    Nano Lett., 11, 3447-3452, 2011nl_11_3447
  93. B. K. Juluri, N. Chaturvedi, Q. Z. Hao, M. Q. Lu, D. Velogol, L. Jensen, T. J. Huang
    Scalable Manufacturing of Plasmonic Nanodisk Dimers and Cups Nanostructures Using Salting-Out Quenching Method and Colloidal Lithography
    ACS Nano, 5, 5838-5847, 2011acsnano_5_5838
  94. Q. Hao, Y. Zheng, B. K. Juluri, X. D. Wang, B. Kiraly, I.K. Chiang, L. Jensen, D. H. Werner, V. H. Crespi, T. J. Huang
    Metallic Membranes with Subwavelength Complementary Patterns: Distinct Substrates for Surface-Enhanced Raman Scattering
    ACS Nano, 5, 5472-5477, 2011acsnano_5_5472
  95. E. H. Witlicki, C. Johnsen, S. W. Hansen, D. W. Silverstein, V. J. Bottomley, J. O. Jeppesen, E. W. Wong, L. Jensen, A. H. Flood
    Molecular Logic Gates Using Surface-Enhanced Raman-Scattered Light
    J. Am. Chem. Soc., 133, 7288-7291, 2011untitled
  96. S. M. Morton, D. W. Silverstein, L. Jensen
    Theoretical Studies of Plasmonics using Electronic Structure Theory
    Chem. Rev, 111, 3962-3994, 2011
    Invited review article.pic_for_cr_111_3962
  97. C. P. Bennett, D. W. Silverstein, L. Jensen, J. P. Camden
    Probing One-Photon Inaccessible Electronic States with High Sensitivity: Wavelength Scanned Surface Enhanced Hyper-Raman Scattering
    Chem. Phys. Chem., 12, 101-103, 2011cpch_12_101
  98. N. Valley, L. Jensen, J. Autschbach, G. C. Schatz
    Theoretical Studies of Surface Enhanced Hyper-Raman Spectroscopy: The Chemical Enhancement Mechanism
    J. Chem. Phys., 133, 054103, 2010jcp_133_054103
  99. N. E. Motl, E. Ewusi-Annan, I. T. Sines, L. Jensen, R. E. Schaak
    Au-Cu Alloy Nanoparticles with Tunable Compositions and Plasmonic Properties: Experimental Determination of Composition and Correlation with Theory
    J. Phys. Chem. C, 114, 19263-19269, 2010jpcc_114_19263
  100. Q. Hao, B. K. Juluri, Y. B. Zheng, B. Wang, L. Jensen, V. Crespi, P. C. Eklund, T. J. Huang
    Effects of Intrinsic Fano Interference on Surface Enhanced Raman Spectroscopy: Comparison between Platinum and Gold
    J. Phys. Chem. C, 114, 18059-18066, 2010
    Featured on the cover.
    jpccck_v114i043.indd
    jpcc_114_18059
  101. D. W. Silverstein, L. Jensen
    Understanding the Resonance Raman Scattering of Donor-Acceptor Complexes using Long-Range Corrected DFT
    J. Chem. Theory Comput., 6, 2845-2855, 2010 jctc_6_2845
  102. S. M. Morton, L. Jensen
    A Discrete Interaction Model/Quantum Mechanical Method for Describing Response Properties of Molecules Adsorbed on Metal Nanoparticles
    J. Chem. Phys., 133, 074103, 2010jcp_133_074103
  103. Y. B. Zheng, B. K. Juluri, L. L. Jensen, D. Ahmed, M. Lu, L. Jensen, T. J. Huang
    Dynamically Tuning Plasmon–Exciton Coupling in Arrays of Nanodisk–J-Aggregate Complexes
    Adv. Mat., 22, 3603, 2010
    Featured on the cover.am_22_3603_coveram_22_2603
  104. D. W. Silverstein, L. Jensen
    Assessment of the Accuracy of Long-Range Corrected Functionals for Describing the Electronic and Optical Properties of Silver Clusters
    J. Chem. Phys., 132, 194302, 2010jcp_132_194302
  105. E. H. Witlicki, S. S. Andersen, S. W. Hansen, J. O. Jeppesen, E. W. Wong, L. Jensen, A. H. Flood
    Turning on Resonant SERRS Using the Chromophore-Plasmon Coupling Created by Host-Guest Complexation at a Plasmonic Nanoarray
    J. Am. Chem. Soc, 132, 6099-6107, 2010jacs_132_6099
  106. K. A. Kane, L. Jensen
    Calculation of Absolute Resonance Raman Intensities: Vibronic Theory vs. Short-time Approximation
    J. Phys. Chem. C, 114, 5540-5546, 2010
    Invited Article: Barbara J. Garrison Special issue.Full page photo
  107. B. K. Juluri, M. Lu, Y. B. Zheng, T. J. Huang, L. Jensen
    Coupling between Molecular and Plasmonic Resonances: Effect of Molecular Absorbance
    J. Phys. Chem. C, 113, 18499-18503, 2009jpcc_113_18499
  108. L. Jensen, N. Govind
    Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory
    J. Phys. Chem. A, 113, 9761-9765, 2009lcdft_dna_rev1.dvi
  109. E. H. Witlicki, S. W. Hansen, M. Christensen, T. S. Hansen, S. D. Nygaard, J. O. Jeppesen, E. W. Wong, L. Jensen, A. H. Flood
    Determination of Binding Strengths of a Host-Guest Complex Using Resonance Raman Scattering
    J. Phys. Chem. A, 113, 9450-9457, 2009jpca_113_9450
  110. L. L. Jensen, L. Jensen
    An Atomistic Electrodynamics Model for Optical Properties of Silver Nanoclusters
    J. Phys. Chem. C, 113, 15182-15190, 2009jpcc_113_15182
  111. S. M. Morton, E. Ewusi-Annan, L. Jensen
    Controlling the Non-Resonant Chemical Mechanism of SERS Using a Molecular Photoswitch
    Phys. Chem. Chem. Phys., 11, 7424-7429, 2009pccp_11_7424
  112. H. S. Smalo, P. O. Åstrand, L. Jensen
    Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities
    J. Chem. Phys.,131, 044101, 2009jcp_131_044101
  113. N. Govind, M. Valiev, L. Jensen, K. Kowalski
    Excitation Energies of Zinc Porphyrin in Aqueous Solution Using Long-Range Corrected Time-Dependent Density Functional Theory
    J. Phys. Chem. A, 113, 6041-6043, 2009FigSystem.eps
  114. Y. B. Zheng, L. L. Jensen, W. Yan, T. Walker, B. K. Juluri, L. Jensen, T. J. Huang
    Chemically Tuning the Localized Surface Plasmon Resonances of Gold Nanostructure Arrays
    J. Phys. Chem. C, 113, 7019–7024, 2009jpcc_113_7019
  115. L. Jensen
    Surface-Enhanced Vibrational Raman Optical Activity: A Time-Dependent Density Functional Theory Approach
    J. Phys. Chem. A, 113, 4437–4444, 2009
    Invited Article: George C. Schatz Special issue.jpca_113_4437
  116. S. M. Morton, L. Jensen
    Understanding the Molecule-Surface Chemical Coupling in SERS
    J. Am. Chem. Soc, 131, 4090-4098, 2009gnuplot plot
  117. L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    Molecular mechanics interaction models for optical electronic properties
    J. Comp. Theo. Nanoscience, 6, 270 – 291, 2009
    Invited review article.jctn_6_270
  118. B. K. Juluri, S.-C. S. Lin, T. R. Walker, T. J. Huang, L. Jensen
    Propagation of Designer Surface Plasmons in Structured Conductor Surfaces with Parabolic Gradient Index
    Opt. Express, 17, 2997–3006, 2009untitled
  119. Y. B. Zheng, Y.-W. Yang, L. Jensen, L. Fang, B. K. Juluri, A. H. Flood, P. S. Weiss, J. F. Stoddart, T. J. Huang
    Active Molecular Plasmonics: Controlling Plasmon Resonances with Molecular Switches
    Nano Lett., 9, 819-825, 2009
    Highlighted in Nature Materials.untitled
  120. L. L. Jensen, L. Jensen
    Electrostatic Interaction Model for the Calculation of the Polarizability of Large Noble Metal Nanoclusters
    J. Phys. Chem. C, 112, 15697–15703, 2008
    Featured on the cover.Unknown gnuplot plot
  121. B. K. Juluri, Y. B. Zheng, D. Ahmed, L. Jensen, T. J. Huang
    Effects of Geometry and Composition on Charge-Induced Plasmonic Shifts in Gold Nanoparticles
    J. Phys. Chem. C, 112, 7309-7317, 2008jpcc_112_7309
  122. L. Jensen, C. M. Aikens, G. C. Schatz
    Electronic Structure Methods for Studying Surface-Enhanced Raman Scattering
    Chem. Soc. Rev., 37, 1061-1073, 2008gnuplot plot
  123. L. Jensen, J. Autschbach, M. Krykunov, G. C. Schatz
    Resonance Vibrational Raman Optical Activity: A Time-Dependent Density Functional Theory Approach
    J. Chem. Phys., 127, 134101, 2007jcp_127_134101
  124. J. Zhao, L. Jensen, J. Sung, S. Zou, G. C. Schatz, T. P. van Duyne
    Interaction of Plasmon and Molecular Resonances for Rhodamine 6G Adsorbed on Silver Nanoparticles
    J. Am. Chem. Soc., 129, 7647-7656, 2007untitled
  125. L. Jensen, L. L. Zhao, G. C. Schatz
    Size-Dependence of the Enhanced Raman Scattering of Pyridine Adsorbed on Agn (n = 2−8, 20) Clusters
    J. Phys. Chem. C., 111, 4756-4764, 2007ag248py-rev1.dvi
  126. L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    Microscopic Polarization in Ropes and Films of Aligned Carbon Nanotubes
    J. Comput. Meth. Sci. Eng., 6, 353-364, 2006jcmse_6_353
  127. L. Jensen, M. Swart, P. Th. van Duijnen, J. Autschbach
    The CD-Spectrum of [Co(en)3 ]3+ in Solution Using the Discrete Solvent Reaction Field Model
    Int. J. Quant. Chem., 106, 2479-2488, 2006ijqc_106_2479
  128. L. L. Zhao, L. Jensen, G. C. Schatz
    Surface-Enhanced Raman Scattering of Pyrazine at the Junction Between Two Ag20 Nanoclusters
    Nano Lett., 6, 1229-1234, 2006AgpyAg3-rev1.dvi
  129. C. R. Jacob, J. Neugebauer, L. Jensen, L. Visscher
    Comparison of Frozen-Density Embedding and Discrete Reaction Field Solvent Models for Molecular Properties
    Phys. Chem. Chem. Phys., 8, 2349-2359, 2006pccp_8_2349
  130. L. Jensen, G. C. Schatz
    Resonance Raman Scattering of Rhodamine 6G as Calculated Using Time-Dependent Density Functional Theory
    J. Phys. Chem. A, 110, 5973-5977, 2006
    Among the most-accessed articles: April-June, 2006jpca_110_5973
  131. L. L. Zhao, L. Jensen, G. C. Schatz
    Pyridine – Ag20 Cluster: A Model System for Studying Surface-Enhanced Raman Scattering
    J. Am. Chem. Soc., 128, 2911-2919, 2006jacs_128_2911
  132. J. Autschbach, L. Jensen, G. C. Schatz, Y. C. E. Tse, M. Krykunov
    Time-Dependent Density Functional Calculations of Optical Rotatory Dispersion Including Resonance Wavelengths as a Potentially useful Tool for Determining Absolute Configurations of Chiral Molecules
    J. Phys. Chem. A, 110, 2461-2473, 2006jpca_110_2461
  133. J.J. Kongsted, T. B. Pedersen, L. Jensen, A. E. Hansen, K. V. Mikkelsen
    Coupled Cluster and Density Functional Theory Studies of the Vibrational Contribution to the Optical Rotation of (S)-Propylene Oxide
    J. Am. Chem. Soc., 128, 976-982, 2006jacs_128_976
  134. L. Jensen, L. L. Zhao, J. Autschbach, G.C. Schatz
    Theory and Method for Calculating Resonance Raman Scattering from Resonance Polarizability Derivatives
    J. Chem. Phys., 123, 174110, 2005jcp_123_174110
  135. L. Jensen, P. Th. van Duijnen
    The First Hyperpolarizability of p-Nitroaniline in 1,4-dioxane: A Quantum Mechanical/Molecular Mechanics Study
    J. Chem. Phys., 123, 074307, 2005jcp_123_074307
  136. T. Hansen, L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    Frequency-Dependent Polarizabilities of Amino Acids as Calculated by an Electrostatic Interaction Model
    J. Chem. Theory Comput., 1, 626-633, 2005jctc_1_626
  137. L. Jensen, J. Autschbach, G. C. Schatz
    Finite Lifetime Effects on the Polarizability Within Time-Dependent Density-Functional Theory
    J. Chem. Phys., 122, 224115, 2005jcp_122_224115
  138. L. Jensen, P. Th. van Duijnen
    Refractive Index and Third-Order Nonlinear Susceptibility of C-60 in the Condensed Phase Calculated with the Discrete Solvent Reaction Field Model
    Int. J. Quant. Chem., 102, 612-619, 20054.2
  139. L. Jensen, M. Swart, P. Th. van Duijnen
    Microscopic and Macroscopic Polarization Within a Combined Quantum Mechanics and Molecular Mechanics Model
    J. Chem. Phys., 122, 034103, 2005jcp_122_034103
  140. L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    The Static Second Hyperpolarizability of Fullerenes and Carbon Nanotubes
    J. Phys. Chem. A, 108, 8795-8800, 2004jpca_108_8795
  141. M. van Faassen, L. Jensen, J. A. berger, P. L. de Boeij
    Size-Scaling of the Polarizability of Tubular Fullerenes Investigated with Time-Dependent (Current-)-Density-Functional Theory
    Chem. Phys. Lett., 395, 274-278, 2004cpl_395_274
  142. L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    Microscopic and Macroscopic Polarization in C60 Fullerene Clusters as Calculated by an Electrostatic Interaction Model
    J. Phys. Chem. B, 108, 8226-8233, 2004jpcb_108_8226
  143. L. Jensen, P. Th. van Duijnen, J. G. Snijders
    A Discrete Solvent Reaction Field Model for Calculating Frequency-Dependent Hyperpolarizabilities of Molecules in Solution
    J. Chem. Phys., 119, 12998-13006, 2003jcp_119_12998
  144. L. Jensen, P. Th. van Duijnen, J. G. Snijders
    A Discrete Solvent Reaction Field Model for Calculating Molecular Linear Response Properties in Solution
    J. Chem. Phys., 119, 3800-3809, 2003jcp_119_3800
  145. R.-H. Xie, L. Jensen, G. W. Bryant, J. J. Zhao, V. H. Smith Jr.
    Structural, Electronic, and Magnetic Properties of Heterofullerene C48 B12
    Chem. Phys. Lett., 375, 445-451, 2003cpl_375_445
  146. L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    Saturation of the Third-Order Polarizability of Carbon Nanotubes Characterized by a Dipole Interaction Model
    Nano Lett., 3, 661-665, 2003nl_3_661
  147. R.-H. Xie, G. W. Bryant, L. Jensen, J. J. Zhao, V. H. Smith Jr.
    First-Principles Calculations of Structural, Electronic, Vibrational and Magnetic Properties of C60 and C48 N12 : A Comparative Study
    J. Chem. Phys., 118, 8621-8635, 2003jcp_118_8621
  148. L. Jensen, K. O. Sylvester-Hvid, K. V. Mikkelsen, P.-O. Åstrand
    A Dipole Interaction Model for the Molecular Second Hyperpolarizability
    J. Phys. Chem. A, 107, 2270-2276, 2003jpca_107_2270
  149. L. Jensen, P. Th. van Duijnen, J. G. Snijders
    A Discrete Solvent Reaction Field Model Within Density Functional Theory
    J. Chem. Phys., 118, 514-521, 2003jcp_118_514
  150. L. Jensen, M. Swart, P. Th. van Duijnen, J. G. Snijders
    Medium Perturbations on the Molecular Polarizability Calculated Within a Localized Dipole Interaction Model
    J. Chem. Phys., 117, 3316-3320, 2002jcp_117_3316
  151. L. Jensen, P. Th. van Duijnen, J. G. Snijders, D. P. Chong
    Time-Dependent Density Functional Study of the Static Second Hyperpolarizability of BB-, NN- and BN-substituted C60
    Chem. Phys. Lett., 359, 524-529, 2002cpl_359_524
  152. L. Jensen, P.-O. Åstrand, A. Osted, J. Kongsted, K. V. Mikkelsen
    Polarizability of Molecular Clusters as Calculated by a Dipole Interaction Model
    J. Chem. Phys., 116, 4001-4010, 2002jcp_116_4001
  153. T. L. C. Jansen, M. Swart, L. Jensen, P. Th. van Duijnen, J. G. Snijders, K. Duppen
    Collision Effects in the Nonlinear Raman Response of Liquid Carbon Disulfide
    J. Chem. Phys., 116, 3277-3285, 2002jcp_116_3277
  154. J. Kongsted, A. Osted, L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    Frequency-Dependent Polarizability of Boron Nitride Nanotubes: A Theoretical Study
    J. Phys. Chem. B., 105, 10243-10248, 2001jpcb_105_10243
  155. L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
    An Atomic Capacitance-Polarizabililty Model For The Calculation of Molecular Dipole Moments and Polarizabilities
    Int. J. Quant. Chem., 84, 513-522, 2001ijqc_84_513
  156. L. Jensen, O. H. Schmidt, K. V. Mikkelsen, P.-O. Åstrand
    Static and Frequency-Dependent Polarizability Tensors for Carbon Nanotubes
    J. Phys. Chem. B., 104, 10462-10466, 2000jpcb_104_10462
  157. L. Jensen, P.-O. Åstrand, K. O. Sylvester-Hvid, K. V. Mikkelsen
    Frequency-Dependent Molecular Polarizability Calculated Within an Interaction Model
    J. Phys. Chem. A., 104, 1563-1569, 2000jpa_104_1563

 

Book Chapters

 

  1. John L. Payton, Seth M. Morton, L. Jensen
    First-Principles Simulations of Near Field Effects, in Agio, M. and Alu, A. (editors),
    “Optical Antennas”, Cambridge University Press, ISBN: 9781107014145 , 2013.book_OA
  2. N. Valley, L. Jensen, J. Autschbach, G. C. Schatz
    Calculating the Raman and HyperRaman Spectra of Large Molecules and Molecules Interacting with Nanoparticles, in Reimers, J. (editor), “Computational Methods for
    Large Systems”, Wiley, ISBN: 978-0-470-48788-4, 2011.book_CMfLS
  3. P.Th. van Duijnen, M. Swart, L. Jensen
    The Discrete Reaction Field approach for calculating solvent effects
    in “Solvation Effects on Molecules and Biomolecules: Computational Methods and Applications”; Springer Series “Challenges and Advances in Computational Chemistry and Physics”, Vol. 6; 39102, Edited by S. Canuto, Springer, 2008book_SEoMaB
  4. L. Jensen, P. Th. van Duijnen
    The Discrete Solvent Reaction Field model: A Quantum mechanics / Molecular Mechanics Model for Calculating Nonlinear Optical Properties of Molecules in Condensed Phase
    in “Atoms, Molecules and Clusters in Electric Fields. Theoretical Approaches to the
    Calculation of Electric Polarizability”. Edited by G. Maroulis, Imperial College Press,
    2006, ISBN 1-86094-676-3book_AMaCiEF
  5. R.-H. Xie, Q. Rao, L. Jensen
    Nonlinear Optics of Fullerenes and Carbon Nanotubes
    in “Encyclopedia of Nanoscience and Nanotechnology”, Edited by H. S. Nalwa, American Scientific Publisher, Vol. 8, 67-99. 2004book_EoNaN
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