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2013

[78] Q. Hao, S. M. Morton, B. Wang, Y. Zhao, L. Jensen, T. J. Huang
Tuning Surface-Enhanced Raman Scattering from Graphene Substrates using the Electric Field Effect and Chemical Doping
App. Phys. Lett., 102, 011102, 2013

2012


[77] 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, 2012

[76] 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, 2012

[75] 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 Efficienccy of Photoisomerization of Azobenzene-Functionalized Molecules on Au {111}
J. Phys. Chem. Lett., 3, 2388-2394, 2012

[74] 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, 2012

[73] 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

[72] Q. Z. Hao, B. Wang, J. A. Bossard, B. Kiraly, Y. Zeng, I-K. Chiang, L. Jensen, D. H. Werner, T. J. Huang
Surface-Enhanced Raman Scattering Study on Graphene-Coated Metallic Nanostructure Substrates
J. Phys. Chem. C, 116, 7249-7254, 2012
[71] D. W. Silverstein, L. Jensen
Vibronic coupling simulations for linear and nonlinear optical processes: Theory
J. Chem. Phys., 136, 064111, 2012

[70] D. W. Silverstein, L. Jensen
Vibronic coupling simulations for linear and nonlinear optical processes: Simulation results
J. Chem. Phys., 136, 064110, 2012

[69] 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, 2012

2011


[68] 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, 2011

[67] 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, 2011

[66] 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 azobenzene in controlled nanoscale environments
Nano Lett. 11, 3447-3452, 2011

[65]
Q. Z. Hao, Y. Zeng, 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, 2011

[64] 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, 2011

[63]
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, 2011

[62]
S. M. Morton, D. W. Silverstein, L. Jensen
Theoretical Studies of Plasmonics using Electronic Structure Methods
Chem. Rev., 111, 3962-3994, 2011

[61]
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, 2011

2010


[60]
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, 2010

[59]
N. E. Motl, E. Ewusi-Annan, I. T. Sines, L. Jensen, R. E. Schaak
Au-Cu Alloy Nanoparticles with Tunable Compositions and Plasmonics Properties: Experimental Determination of Composition and Correlation with Theory
J. Phys. Chem C, 114, 19263–19269, 2010

[58]
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

[57]
D. W. Silverstein, L. Jensen
Understanding the Resonance Raman Scattering of Donor-Acceptor Complexes using Long-range Corrected DFT
J. Chem. Theo. Comp., 6, 2845-2855, 2010

[56]
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, 2010

[55]
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-aggregrate Complexes
Adv. Mat., 22, 3603, 2010

[54]
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, 2010

[53]
E. H. Witlicki, S. S. Andersen, S. W. Hansen, J. O. Jeppesen, E. W. Wong, L. Jensen and 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, 2010

[52]
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


2009


[51]
B. K. Juluri, M. Q. 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, 2009


[50]
L. Jensen, N. Govind
Excited State of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory Approach
J. Phys. Chem. A, 113, 9761 - 9765, 2009


[49]
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, 2009


[48]
L. L. Jensen, L. Jensen
Atomistic Electrodynamics Model for Optical Properties of Silver Nanoclusters
J. Phys. Chem. C, 113, 15182 - 15190, 2009


[47]
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 Resonances Raman Scattering
J. Phys. Chem. A, 113, 9450 - 9457, 2009


[46]
H. S. Smalo, P. O. Astrand, L. Jensen
Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities
J. Chem. Phys, 131, 044101, 2009


[45]
N. Govind, M. Vallev, L. Jensen, K. Kowalski
Excitation Energies of Zinc Porphyrin in Aqueous Solution Using Long-Range Corrected Time-Dependent Density Functional Theory Approach
J. Phys. Chem. A, 113, 6041 - 6043, 2009


[44]
Y. B. Zheng, L. L. Jensen, W. Yan, T. R. 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, 2009


[43]
L. Jensen
Surface-enhanced Vibrational Raman Optical Activity: A Time-Dependent Density Functional Theory Approach
J. Phys. Chem. A, 113, 4437 - 4444, 2009


[42]
S. M. Morton, L. Jensen
Understanding the Molecule-Surface Chemical Coupling in SERS
J. Am. Chem. Soc, 131, 4090 - 4095, 2009


[41]
L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
Molecular mechanics interaction models for optical electronic properties
J. Comp. Theo. Nanoscience, 6, 270 - 291, 2009


[40]
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

[39]
B. K. Juluri, S-C S. Lin, T.R. Walker, L. Jensen, T. J. Huang
Propagation of designer surface plasmons in structured conductor surfaces with parabolic gradient index
Optics Express,
17 , 2997 - 3006, 2009

2008


[38]
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


[37]
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, 2008

[36] L. Jensen, C. M. Aikens, G. C. Schatz
Electronic structure methods for studying Surface-enhanced Raman scattering
Chem. Soc. Rev., 37, 1061 - 1073, 2008

2007


[35]
L. Jensen, J. Autschbach, M. Krykunov, G.C. Schatz
Resonance vibrational Raman optical activity: A time-dependent density functional theory approach J. Chem. Phys.,
123, 134101, 2007

[34] 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, 2007

[33] L. Jensen, L. L. Zhao, G. C. Schatz
Size-Dependence of the Enhanced Raman Scattering of Pyridine Adsorbed on Ag
n (n=2-8,20) Clusters
J. Phys. Chem. C.,
111, 4756-4764, 2007

2006


[32] 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, 2006

[31] 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, 2006

[30] 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, 2006

[29] 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, 2006

[28] 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

[27] 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, 2006

[26] 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, 2006

[25]
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, 2006

2005


[24] L. Jensen, L. Zhao, J. Autschbach, G.C. Schatz
Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives
J. Chem. Phys., 123, 174110, 2005

[23] 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, 2005

[22] 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. Theo. Comp., 1, 626-633, 2005

[21] L. Jensen, J. Autschbach, G. C. Schatz
Finite lifetime effects on the polarizability within time-dependent density- functional theory
J. Chem. Phys., 122, 224115, 2005

[20] L. Jensen, P. Th. van Duijnen
Refractive index and third-order nonlinear susceptibility of C60 in the condensed phase calculated with the discrete solvent reaction field model
Int. J. Quant. Chem., 102, 612-619, 2005

[19] 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, 2005

2004


[18] L. Jensen, P.-O. Åstrand, K. V. Mikkelsen
The static second hyperpolarizability of fullerenes and carbon nanotubes
J. Phys. Chem. A, 108, 8795-8800, 2004

[17] M. van Faassen, L. Jensen, J. A. berger, P. L. de Boeij
Size-scalling of the polarizability of tubular fullerenes investigated with time- dependent (current-)-density-functional theory
Chem. Phys. Lett., 395, 274-278, 2004

[16] 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, 2004

2003


[15] 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, 2003

[14] 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, 2003

[13] R.-H. Xie, L. Jensen, G. W. Bryant, J. J. Zhao, V. H. Smith Jr.
Structural, electronic, and magnetic properties of of heterofullerene C48 B12
Chem. Phys. Lett., 375, 445-451, 2003

[12] 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, 661-665,2003

[11] 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, 2003

[10] 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, 2003

[9] 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, 2003

2002


[8] L. Jensen, M. Swart, P. Th. van Duijnen, J. G. Snijders
Medium pertubations on the molecular polarizability calculated within a localized dipole interaction model
J. Chem. Phys., 117, 3316-3320, 2002

[7] 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, 2002

[6] 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, 2002

[5] T. L. C. Jansen, M. Swart, L. Jensen, P. Th. van Duijnen, J. G. Snijders, K. Duppen
Collision effects in the nonlinear Ramon response of liquid carbon disulfide
J. Chem. Phys., 116, 3277-3285, 2002

2001


[4] 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, 2001

[3] 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, 2001

2000


[2] L. Jensen, O. H. Schmidt, P.-O. Åstrand, K. V. Mikkelsen
Static and frequency dependent polarizability tensors for carbon nanotubes
J. Phys. Chem. B, 104, 10462-10466, 2000

[1] 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, 2000

Book Chapters


[5] J. L. Payton, S. M. Morton, L. Jensen
First-Principles Simulations of Near Field Effects,
in M. Agio and A. Alu(editor), Optical Antennas,Cambridge University Press, ISBN: 9781107014145, 2012.

[4]
N. Valley, L. Jensen, J. Autschbach, G. C. Schatz
Calculating the Raman and HyperRaman Spectra of Large Molecules and Molecules Interacting with Nanoparticles
in J. Reimers (editor), Computational methods for large systems,Wiley, ISBN: 978-0-470-48788-4, 2011.

[3] P.Th. van Duijnen, M. Swart and 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, 2008

[2] 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 1-86094-676-3

[1] 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. 2004