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Publications: 801 - 900

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801."Tracking Conformational Dynamics of Polypeptides by Non-linear Electronic Spectroscopy of Aromatic Residues: A First Principles Simulation Study"
A. Nenov, S. a Beccara, I. Rivalta, G. Cerullo, S. Mukamel, and M. Garavelli
Chem Phys Chem, DOI: 10.1002/cphc.201402374(2014).
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802."Probing the Conical Intersection Dynamics of the RNA Base Uracil by UV-Pump Stimulated-Raman-Probe Signals; Ab-Initio Simulations"
B.P. Fingerhut, K.E. Dorfman and S. Mukamel
JCTC, DOI: 10.1021/ct401012u (2014).
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803."Multidimensional Scattering of Attosecond X-ray Pulses Detected by Photon Coincidence"
J. D. Biggs, K. E. Bennett, Y. Zhang, and S. Mukamel
J. Phys. B: At. Mol. Opt. Phys, 47, 124037 (2014).
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804."Nonlinear Spectroscopy of Controllable Many-Body Quantum Systems"
M. Gessner, F. Schlawin, H. Haffner, S. Mukamel and A. Buchleitner
NJP, 16, 092001 (2014).
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805."Multidimensional Spectroscopy With a Single Broadband Phase-shaped Laser Pulse"
R. Glenn and S. Mukamel.
J. Chem Phys, 140,144105 (2014).
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806."Matter and Field Spectral Densities for Multidimensional Optical Response"
K. Bennett and S. Mukamel.
Chemical Physics. 481,54-59, (2016) doi.org/10.1016/j.chemphys.2016.07.001
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807."Bidimensional Electronic Spectroscopy on Indole in Gas Phase and in Water From First Principles"
A. Nenov, I. Rivalta, S. Mukamel and M. Garavelli.
Computational and Theoretical Chemistry, 1040, 295-303 (2014).
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808."Communication: Atomic Force detection of Single-molecule Non-linear Optical Vibrational Spectroscopy"
P. Saurabh and S. Mukamel
JCP, 140,161107 (2014).
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809."Modeling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin"
I. Rivalta, A. Nenov, O. Weingart, G. Cerullo, M. Garavelli and S. Mukamel
J. Phys. Chem B, DOI:10.1021/jp502538m(2014).
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810."Monitoring Long-range Electron Transfer in Proteins by Stimulated Broadband X-Ray Raman Spectroscopy"
Yu Zhang, J.D. Biggs, Niri Govind, and Shaul Mukamel
JPC Lett, 5, 3656-3661 (2014).
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811."Nonlinear Spectroscopy of Trapped Ions"
F. Schlawin, M. Gessner, S. Mukamel and A. Buchleitner
Phys Rev A, 90, 023603 (2014).
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812."On the Origin of Oscillations in Two-dimensional Spectra of Excitonically-coupled Molecular Systems"
Hong-Guang Duan, Peter Nalbach, Valentyn I. Prokhorenko, Shaul Mukamel, and Michael Thorwart
NJP, 17, 072002 (2015).
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813."Probing Chirality Fluctuations in Molecules by Nonlinear Optical Spectroscopy"
N. Mann, P. Nalbach, S. Mukamel, and M. Thorwart
JCP, 141, 234305 (2014).
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814."Stimulated Raman Spectroscopy with Entangled Light; Enhanced Resolution and Pathway Selection"
K. Dorfman, F. Schlawin, and S. Mukamel
J. Phys. Chem. Lett, 5, 2843-2849 (2014).
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815."Exploring the Protein Folding Dynamics of Beta3s with Two-dimensional Ultraviolet (2DUV) Spectroscopy"
Z. Lai, J. Jiang, S. Mukamel and J. Wang
Israel J. Chem. DOI: 10.1002/ijch.201300141(2014).
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816."Femtosecond stimulated Raman spectroscopy of the cyclobutane thymine dimer repair mechanism: A computational study"
H. Ando, B.P. Fingerhut, K.E. Dorfman, J.D. Biggs, and S. Mukamel
JACS, DOI: 10.1021/ja5063955 (2014).
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817."Signatures of Conical Intersection Mediated Relaxation Dynamics in Time-Resolved Broadband Raman Detection"
Benjamin P. Fingerhut, Konstantin E. Dorfman, and Shaul Mukamel
19th International Conference on Ultrafast Phenomena , Okinawa, JAPAN, JUL 07-11, 2014, ULTRAFAST PHENOMENA XIX, 162, 419-423 (2015).
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818."Resonant Stimulated X-ray Raman Spectroscopy of Molecule Following Core Ionization"
Yu Zhang, Jason D. Biggs, Weijie Hua, and Shaul Mukamel
19th International Conference on Ultrafast Phenomena , Okinawa, JAPAN, JUL 07-11, 2014, ULTRAFAST PHENOMENA XIX, 162, 584-586 (2015).
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819."A Non-Time-Ordered Pulse Scanning Protocol for Multidimensional Spectroscopy with Entangled Light"
Konstantin E. Dorfman, Frank Schlawin, and Shaul Mukamel
19th International Conference on Ultrafast Phenomena , Okinawa, JAPAN, JUL 07-11, 2014, ULTRAFAST PHENOMENA XIX, 162, 436-439 (2015).
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820."Photon-exchange induces optical nonlinearities in harmonic systems"
Rachel Glenn, Kochise Bennett, Konstantin E. Dorfman, and Shaul Mukamel
J. of Physics B. 48, 065401 (2015).
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821."Non-linear non-local molecular electrodynamics with nano-optical fields"
V. Chernyak P. Saurabh, and S. Mukamel
JCP, 143, 164107 (2015).
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822."Stochastic Liouville Equations for Femtosecond Stimulated Raman spectroscopy"
B.K. Agarwalla, H. Ando, K. E. Dorfman, and S. Mukamel
J. Chem. Phys. 142, 024115 (2015).
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824."Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations"
A. Nenov, J. Segarra-Marti, A. Giussani, I. Conti, I. Rivalta, E. Dumont, V.K. Jaiswal, S. . Altavilla, S. Mukamel, and M. Garavelli
Faraday Discussions, 177, 345-362 (2015).
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825."Probing Electronic and Vibrational Dynamics in Molecules by Time-Resolved Photoelectron, Auger-Electron, and X-ray Photon Scattering Spectroscopy"
K. Bennett, M. Kowalewski, and S. Mukamel
Faraday Discussions, 2014, DOI: 10.1039/C4FD00178H
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826."Three-Dimensional Attosecond Resonant Stimulated X-Ray Raman Spectroscopy of Electronic Excitations in Core-ionized Glycine"
Y. Zhang, J.D. Biggs, W. Hua, K.E. Dorfman, and S. Mukamel
PCCP DOI: 10.1039/C4CP03361B (2014).
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827."Local and Global Dynamics; General Discussion"
M. Zanni, et al, S. Mukamel
Faraday Discussion, 177, 381-403. (2015) DOI:10.1039/C5FD90018B.
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828."Evaluation of Optical Probe Signals from Nonequilibrium Systems"
B. K. Agarwalla, K.E. Dorfman, and S. Mukamel
PRA, 91, 052501(2015).
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830."Response to "Comment on "Frequency-domain stimulated and spontaneous light emission signals at molecular junctions"
U. Harbola, B.K. Agarwalla, and S. Mukamel
JCP ,142, 137102 (2015); doi: 10.1063/1.4916524.
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831."Nonlinear Spectroscopy of Core and Valence Excitations Using Short X-ray Pulses: Simulation Challenges"
Y, Zhang, W. Hua, K. Bennett, and S. Mukamel
Topics in Current Chemistry, Book Chapter , Springer (2014) DOI:10.1007/128_2014_618.
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832."Nonlinear fluctuations and dissipation in matter revealed by quantum light"
S. Mukamel and K.E. Dorfman
Phys. Rev. A 91, 053844 (2015) DOI: 10.1103/PhysRevA.91.053844.
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833."Energy flow between of spectral components in 2D Broadband Stimulated Raman Spectroscopy"
G. Batignani, G. Fumero, S. Mukamel, and T. Scopigno
Physical Chemistry Chemical Physics, 2015, DOI: 10.1039/C4CP05361C.
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834."Monitoring conical intersections in the ring opening of furan by Attosecond Stimulated X-ray Raman Spectroscopy"
Weijie Hua , Sven Oesterling , Jason Biggs , Yu Zhang , Hideo Ando , Regina De Vivie-Riedle , Benjamin Fingerhut and Shaul Mukamel
Structural Dynamics. 3, 023601 (2016); doi: 10.1063/1.4933007.
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835."A Continued Fraction Resummation Form of Bath Relaxation Effect in the Spin-Boson Model"
Zhihao Gong, Zhoufei Tang, Shaul Mukamel, Jianshu Cao, and Jianlan Wu
The Journal of Chemical Physics 142, 084103 (2015); doi: 10.1063/1.4913198.
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836."Minimal Model of Quantum Kinetic Clusters for the Energy-Transfer Network of a Light-Harvesting Protein Complex"
Jianlan Wu , Zhoufei Tang, Zhihao Gong, Jianshu Cao, and Shaul Mukamel
Journal of Physical Chemistry Letters, 6, 1240-1245 (2015).
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837."Characterizing the Compound I and II Intermediates in the Cytochrome P450 Catalytic Cycle with Nonlinear X-ray Spectroscopy: A Simulation Study"
Yu Zhang, Jason D. Biggs, and Shaul Mukamel
Chem Phys Chem (2015) DOI: 10.1002/cphc.201500064.
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838."Multidimensional Characterization of Stochastic Dynamical Systems Based on Multiple Perturbations and Measurements"
Maksym Kryvohuz and Shaul Mukamel
Journal of Chemical Physics, 142, 212430 (2015); doi: 10.1063/1.4917527.
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839."Detecting Electronic Coherence by Multidimensional Broadband Stimulated X-ray Raman Signals"
Konstantin E. Dorfman, Kochise Bennett, and Shaul Mukamel
PRA , 92, 023826 (2015).
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840."Modeling the high-energy electronic state manifold of adeline: Calibration for nonlinear electronic spectroscopy"
A. Nenov, A. Giussani,J. Segarra-Marti, V.K. Jaiswal, I. Rivalta, G. Cerullo, S. Mukamel, and M. Garavelli.
J. Chem. Phys. 142,212443 (2015); http://dx.doi.org/10.1063/1.4921016.
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841."Coherent (photon) vs. incoherent (current) detection of multidimensional optical signals from single molecules in open junctions"
B.K. Agarwalla, U. Harbola, W. Hua, Y. Zhang, and S. Mukamel.
J. Chem. Phys. 142, 212445 (2015); doi: 10.1063/1.4919955.
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844."Preface -Special Topic on Multidimensional Spectroscopy"
Shaul Mukamel and Huib Bakker.
JCP, 142, 212101 (2015).
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845."Catching Conical Intersections in the Act; Monitoring Transient Electronic Coherences by Attosecond Stimulated X-ray Raman Signals"
Markus Kowalewski , Kochise Bennett, Konstantin Dorfman, and Shaul Mukamel.
Phys. Rev. Lett.115, 193003 (2015).
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848."Two-dimensional electronic spectroscopy of benzene, phenol and their dimer: an efficient approach for first-principles simulations"
Artur Nenov, Shaul Mukamel, Marco Garavelli and Ivan Rivalta.
JCTC, 11, 3755-3771 (2015).
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849."Nonlinear optical signals and spectroscopy with quantum light"
Konstantin E. Dorfman, Frank Schlawin, and Shaul Mukamel.
Rev. Mod. Phys. 88, 045008 (2016)
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850."Coherent control of long-range photoinduced electron transfer by stimulated X-ray Raman processest"
Konstantin E. Dorfman, Yu Zhang, and Shaul Mukamel.
PNAS 2016 113 (36) 10001 10006; doi:10.1073/pnas.1610729113
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851."Electroluminescence in molecular junctions: a diagrammatic approach"
Himangshu Prabal Goswami, Weijie Hua, Yu Zhang, Shaul Mukamel, and Upendra Harbola.
JCTC (2015)DOI: 10.1021/acs.jctc.5b00500
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852."Stimulated Raman Signals of Conical Intersections; ab Initio Surface Hopping Simulation Protocol with Direct Propagation of the Nuclear Wave Function"
Markus Kowalewski and Shaul Mukamel.
J. Chem. Phys. 143, 044117 (2015) DOI:10.1063/1.4927475.
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853."Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory"
Yu Zhang, Shaul Mukamel, Munira Khalil, and Niranjan Govind.
JCTC (2015) DOI: 10.1021/acs.jctc.5b00763.
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854."On the Resolution Limit of Femtosecond Stimulated Raman Spectroscopy: Modeling fifth-order signals with overlapping pulses"
G. Fumero, G. Batignani, K. E. Dorfman, S. Mukamel, and T. Scopigno.
ChemPhysChem. doi:10.1002/cphc.201500548 (2015).
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855."Future Challenges: General Discussion"
E.D. Jemmis et al, Shaul Mukamel.
Faraday Discussions, 177, 517 (2015).
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856.Reply to Comment on " Nonlinear fluctuations and dissipation in matter revealed by quantum light"
Shaul Mukamel and Konstantin E. Dorfman.
Physical Review A, 92, 057802 (2015).
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857."Nonadiabatic Dynamics may be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy"
Kochise Bennett, Markus Kowalewski, and Shaul Mukamel
JCTC , 12, 740-752 (2015) DOI: 10.1021/acs.jctc.5b00824
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861." Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra"
Angelo Giussani, Javier Segarra-Martí, Artur Nenov, Ivan Rivalta, Alessandra Tolomelli, Shaul Mukamel and Marco Garavelli.
Theoretical Chemistry Accounts, 135, 121 (2016).
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862."Time-and-frequency gated photon coincidence counting; a novel multidimensional spectroscopy tool"
Konstantin E. Dorfman and Shaul Mukamel.
. Physica Scripta,91,083004.(2016) http://arxiv.org/abs/1602.03241
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863."Multidimensional Resonant Nonlinear Spectroscopy with Coherent Broadband X-ray Pulses"
Kochise Bennett, Yu Zhang, Markus Kowalewski, Weijie Hua, and Shaul Mukamel.
.2016 Phys. Scr. T169,014002. http://dx.doi.org/10.1088/0031-8949/T169/1/014002
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864."Probing Ultrafast Processes by Fifth Order Stimulated Raman Scattering"
G. Fumero, G. Batignani, K.E. Dorfman, S. Mukamel, and T. Scopigno.
Journal of Physics: Conference Series: 689, 012023 (2016)
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865."Nonadiabatic Dynamics of Molecules in Optical Cavities"
Markus Kowalewski, Kochise Bennett, Konstantin E. Dorfman,and Shaul Mukamel.
JCP, (2016) http://arxiv.org/abs/1601.03694.
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866."Non-local real space analysis of chiral optical signals "
Jérémy Rouxel, Vladimir Y. Chernyak, and Shaul Mukamel.
Chem. Sci., 2016, Advance Article DOI: 10.1039/C6SC01743F.
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867."Multiple decay mechanisms and 2D-UV spectroscopic fingerprints of singlet excited solvated adenine-uracil monophosphate"
Quansong Li, Angelo Giussani, Javier Segarra-Martí, Artur Nenov, Ivan Rivalta, Alexander A. Voityuk, Shaul Mukamel, Daniel Roca-Sanjuán, Marco Garavelliand Lluís Blancafort.
Chem Eur J. 22,7497-7507(2016) DOI: 10.1002/chem.201505086.
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868."Two-dimensional infrared spectroscopy of vibrational polaritons of molecules in an optical cavity"
Prasoon Saurabh and Shaul Mukamel.
JCP, 144, 124115 (2016).
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869."Wigner-Lindbald equations for quantum friction"
Denys I. Bondar, Renan Cabrera, Andre Campos, Shaul Mukamel, and Herschel Rabitz.
JPC, 7, 1632-1637 (2016).
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870."Communication: The Origin of Many-Particle Signals in Nonlinear Optical Spectroscopy of Non-interacting Particles "
Shaul Mukamel
J. Chem. Phys. 145, 041102 (2016) http://dx.doi.org/10.1063/1.4960049
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871."Tunabale photonic cavity coupled to voltage-biased double quantum dot system: Diagrammatic NEGF approach"
Bijay Kumar Agarwalla, Manas Kulkarni, Shaul Mukamel, and Dvira Segal
Phys. Rev. B, 94,035434 (2016) http://arxiv.org/abs/1604.01811.
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872."Study of double core hole excitations in molecules by X-ray double-quantum coherence signals: a multi-configurational simulation"
Weijie Hua, Kochise Bennett, Zu Zhang ,Yi Luo, and Shaul Mukamel.
. Chemical Science, 2016, 7, 5922 - 5933. DOI: 10.1039/C6SC01571A
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873."Monitoring Excited State Charge Transfer of Transition Metal Mixed-Valence Complexes with Femtosecond X-ray Absorption and Emission Spectroscopies"
Zachary W. Fox, Amy Cordones-Hahn, Kasper S. Kjær, James D. Gaynor, Kiryong Hong, Jae Hyuk Lee,Julia Carlstad, Marco Reinhard, Seunghee Lee, Roberto Alonso-Mori,Matthieu Chollet, Tae Kyu Kim, Amity Andersen, Yu Zhang, Shaul Mukamel, Niranjan Govind, Robert W. Schoenlein, and Munira Khalil.
20th International Conference on Ultrafast Phenomena , Santa Fe, New Mexico,JUL 17-22, 2016, ULTRAFAST PHENOMENA, UTh4A.2
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874."Monitoring ultrafast nonadiabatic dynamics in molecules by streaking of photoelectrons"
Markus Kowalewski, Kochise Bennett, Jérémy Rouxel, and Shaul Mukamel.
20th International Conference on Ultrafast Phenomena , Santa Fe, New Mexico, JUL 17-22, 2016, ULTRAFAST PHENOMENA, UTh5A.2
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875."Coherent Signatures of Conical Intersections in Ultrafast Raman and Photoelectron Spectroscopy"
Kochise Bennett , Markus Kowalewski, and Shaul Mukamel.
20th International Conference on Ultrafast Phenomena , Santa Fe, New Mexico, JUL 17-22, 2016, ULTRAFAST PHENOMENA, UM2A.5
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876."Manipulating ultrafast nonadiabatic dynamics of molecules in optical cavities"
Markus Kowalewski, Kochise Bennett, and Shaul Mukamel.
.20th International Conference on Ultrafast Phenomena , Santa Fe, New Mexico, JUL 17-22, 2016, ULTRAFAST PHENOMENA, UW4A.3
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877."Cavity femtochemistry; Manipulating nonadiabatic dynamics at avoided crossings"
Markus Kowalewski, Kochise Bennett, and Shaul Mukamel.
J. Phys. Chem. Lett ,2016, 7, 2050-2054
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878."Novel Photochemistry of Molecular Polaritons in Optical Cavities"
Kochise Bennett,Markus Kowalewski, and Shaul Mukamel.
Faraday Discussions, 2016, DOI: 10.1039/C6FD00095A
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879."Monitoring nonadiabatic electron-nuclear dynamics in molecules by attosecond streaking of photoelectrons"
Markus Kowalewski, Kochise Bennett, Jeremy Rouxel, and Shaul Mukamel.
Phys. Rev. Lett. 117, 043201 (2016)
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881."Giant photon gain in large-scale quantum dot circuit-QED systems"
Bijay Kumar Agarwalla, Manas Kulkarni, Shaul Mukamel, Dvira Segal.
Phys. Rev. B 94, 121305(R) ( 2016) DOI: 10.1103/PhysRevB.94.121305
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882."Current vs charge density contributions to nonlinear x-ray spectroscopy"
Jérémy Rouxel, Markus Kowalewski, and Shaul Mukamel.
J. Chem. Theory Comput., 2016, 12 (8), pp 3959-3968 DOI: 10.1021/acs.jctc.6b00279
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883."Tribute to Vladimir Chernyak, Quantum Dynamics and Femtosecond Spectroscopy dedicated to Prof. Vladimir Y. Chernyak on the occasion of his 60th birthday"
Shaul Mukamel.
Chemical Physics, 481, 3-4, 2016. doi.org/10.1016/j.chemphys.2016.11.009
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884."Photoinduced molecular chirality probed by ultrafast resonant X-ray spectroscopy"
Jérémy Rouxel, Markus Kowalewski, and Shaul Mukamel.
Structural Dynamics. 4, 044006 (2017); doi: 10.1063/1.4974260
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886."On the simulation of two-dimensional electronic spectroscopy of indole-containing peptides"
Angelo Giussani, Jacopo Marcheselli, Shaul Mukamel, Marco Garavell, and Artur Nenov.
Photochemistry and Photobiology. 14151283 (2017) DOI: 10.1111/php.12770
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887."Manipulating Impulsive Stimulated Raman Spectroscopy With a Chirped Probe Pulse"
Monacelli, Lorenzo; Batignani, Giovanni; Fumero, Giuseppe; Ferrante, Carino; Mukamel, Shaul; Scopigno, Tullio.
. Journal of Physical Chemistry Letters, 8, 966-974 (2017)
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888."Monitoring Nonadiabatic Avoided Crossing Dynamics in Molecules by Ultrafast X-Ray Diffraction"
Markus Kowalewski, Kochise Bennett, and Shaul Mukamel.
Structural Dynamics,4, 054101 (2017)
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889.Comment on “Self-Referenced Coherent Diffraction X-ray Movie of Angstrom-and Femtosecond-Scale Atomic Motion"
Kochise Bennett, Markus Kowalewski, and Shaul Mukamel.
PRL, 119, 069301(2017)
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890."Fluorescence spectroscopy of vibronic polaritons pf molecular aggregates in optical microcavities"
Zhedong Zhang and Shaul Mukamel.
ChemPhysLett, 683(2017) 653-657
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891."Simulating Coherent Multidimensional Spectroscopy of Nonadiabatic Molecular Processes; from the Infrared to the X-ray Regime"
Markus Kowalewski ,Benjamin Fingerhut, Konstantin Dorfman, Kochise Bennett and Shaul Mukamel.
Chemical Reviews (2017)
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893."Discriminating Cascading Processes in Nonlinear Optics; A QED Analysis Based on Their Molecular and Geometric Origin"
Kochise Bennett, Vladimir Y. Chernyak, and Shaul Mukamel.
Physical Review A. 95, 033840 (2017)
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894."Manipulating Molecules with Quantum Light"
Markus Kowalewski and Shaul Mukamel.
. PNAS ,114, 3278-3280 (2017))
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895."X-ray Circular Dichroism Signals: A Unique Probe of Local Molecular Chirality"
Yu Zhang, Jérémy R. Rouxel, Jochen Autschbach, Niranjan Govind and Shaul Mukamel.
Chemical Science, 2017, DOI: 10.1039/C7SC01347G
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896."Pump-probe spectroscopy using quantum light with two-photon coincidence detection"
Frank Schlawin, Konstantin E. Dorfman, and Shaul Mukamel.
Physical Review A. 93, 023807 (2016)
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