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Items: 1 to 50 of 332

1.

Stimulated X-ray Raman Imaging of Conical Intersections.

Cho D, Mukamel S.

J Phys Chem Lett. 2019 Dec 12:33-39. doi: 10.1021/acs.jpclett.9b03020. [Epub ahead of print]

PMID:
31779313
2.

Resonant X-ray Sum-Frequency-Generation Spectroscopy of K-Edges in Acetyl Fluoride.

Bruner A, Cavaletto SM, Govind N, Mukamel S.

J Chem Theory Comput. 2019 Dec 10;15(12):6832-6839. doi: 10.1021/acs.jctc.9b00642. Epub 2019 Nov 26.

PMID:
31714782
3.

Transient X-ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil.

Hua W, Mukamel S, Luo Y.

J Phys Chem Lett. 2019 Nov 21;10(22):7172-7178. doi: 10.1021/acs.jpclett.9b02692. Epub 2019 Nov 7.

PMID:
31625754
4.

Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections.

Segatta F, Nenov A, Orlandi S, Arcioni A, Mukamel S, Garavelli M.

Faraday Discuss. 2019 Dec 16;221(0):245-264. doi: 10.1039/c9fd00073a.

PMID:
31552404
5.

X-ray linear and non-linear spectroscopy of the ESCA molecule.

Nenov A, Segatta F, Bruner A, Mukamel S, Garavelli M.

J Chem Phys. 2019 Sep 21;151(11):114110. doi: 10.1063/1.5116699.

PMID:
31542011
6.

Machine Learning Protocol for Surface-Enhanced Raman Spectroscopy.

Hu W, Ye S, Zhang Y, Li T, Zhang G, Luo Y, Mukamel S, Jiang J.

J Phys Chem Lett. 2019 Oct 17;10(20):6026-6031. doi: 10.1021/acs.jpclett.9b02517. Epub 2019 Sep 26.

PMID:
31538788
7.

Stimulated X-ray Raman and Absorption Spectroscopy of Iron-Sulfur Dimers.

Cho D, Rouxel JR, Mukamel S, Kin-Lic Chan G, Li Z.

J Phys Chem Lett. 2019 Nov 7;10(21):6664-6671. doi: 10.1021/acs.jpclett.9b02414. Epub 2019 Oct 16.

PMID:
31532691
8.

STM Imaging of Electron Migration in Real Space and Time: A Simulation Study.

Kwok Y, Chen G, Mukamel S.

Nano Lett. 2019 Oct 9;19(10):7006-7012. doi: 10.1021/acs.nanolett.9b02389. Epub 2019 Sep 23.

PMID:
31509425
9.

Frequency-, Time-, and Wavevector-Resolved Ultrafast Incoherent Diffraction of Noisy X-ray Pulses.

Asban S, Cho D, Mukamel S.

J Phys Chem Lett. 2019 Oct 3;10(19):5805-5814. doi: 10.1021/acs.jpclett.9b00924. Epub 2019 Sep 19.

PMID:
31503495
10.

Time and frequency resolved transient-absorption and stimulated-Raman signals of stochastic light.

Osipov VA, Asban S, Mukamel S.

J Chem Phys. 2019 Jul 28;151(4):044113. doi: 10.1063/1.5109258.

PMID:
31370511
11.

Polariton-Assisted Cooperativity of Molecules in Microcavities Monitored by Two-Dimensional Infrared Spectroscopy.

Zhang Z, Wang K, Yi Z, Zubairy MS, Scully MO, Mukamel S.

J Phys Chem Lett. 2019 Aug 1;10(15):4448-4454. doi: 10.1021/acs.jpclett.9b00979. Epub 2019 Jul 24.

PMID:
31304758
12.

A neural network protocol for electronic excitations of N-methylacetamide.

Ye S, Hu W, Li X, Zhang J, Zhong K, Zhang G, Luo Y, Mukamel S, Jiang J.

Proc Natl Acad Sci U S A. 2019 Jun 11;116(24):11612-11617. doi: 10.1073/pnas.1821044116. Epub 2019 May 30.

13.

Probing Molecular Chirality by Orbital-Angular-Momentum-Carrying X-ray Pulses.

Ye L, Rouxel JR, Asban S, Rösner B, Mukamel S.

J Chem Theory Comput. 2019 Jul 9;15(7):4180-4186. doi: 10.1021/acs.jctc.9b00346. Epub 2019 Jun 5.

PMID:
31125229
14.

Quantum phase-sensitive diffraction and imaging using entangled photons.

Asban S, Dorfman KE, Mukamel S.

Proc Natl Acad Sci U S A. 2019 Jun 11;116(24):11673-11678. doi: 10.1073/pnas.1904839116. Epub 2019 May 23.

15.

Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics.

Picchiotti A, Nenov A, Giussani A, Prokhorenko VI, Miller RJD, Mukamel S, Garavelli M.

J Phys Chem Lett. 2019 Jun 20;10(12):3481-3487. doi: 10.1021/acs.jpclett.9b01325. Epub 2019 Jun 11.

16.

Imaging of transition charge densities involving carbon core excitations by all X-ray sum-frequency generation.

Cho D, Rouxel JR, Kowalewski M, Lee J, Mukamel S.

Philos Trans A Math Phys Eng Sci. 2019 May 20;377(2145):20170470. doi: 10.1098/rsta.2017.0470.

PMID:
30929629
17.

Femtosecond covariance spectroscopy.

Tollerud JO, Sparapassi G, Montanaro A, Asban S, Glerean F, Giusti F, Marciniak A, Kourousias G, Billè F, Cilento F, Mukamel S, Fausti D.

Proc Natl Acad Sci U S A. 2019 Mar 19;116(12):5383-5386. doi: 10.1073/pnas.1821048116. Epub 2019 Feb 28.

18.

X-ray Raman optical activity of chiral molecules.

Rouxel JR, Zhang Y, Mukamel S.

Chem Sci. 2018 Nov 2;10(3):898-908. doi: 10.1039/c8sc04120b. eCollection 2019 Jan 21.

19.

Monitoring Spontaneous Charge-Density Fluctuations by Single-Molecule Diffraction of Quantum Light.

Dorfman KE, Asban S, Ye L, Rouxel JR, Cho D, Mukamel S.

J Phys Chem Lett. 2019 Feb 21;10(4):768-773. doi: 10.1021/acs.jpclett.9b00071. Epub 2019 Feb 6.

20.

Imaging electron-density fluctuations by multidimensional X-ray photon-coincidence diffraction.

Ye L, Rouxel JR, Cho D, Mukamel S.

Proc Natl Acad Sci U S A. 2019 Jan 8;116(2):395-400. doi: 10.1073/pnas.1816730116. Epub 2018 Dec 24.

21.

Impulsive UV-pump/X-ray probe study of vibrational dynamics in glycine.

Mincigrucci R, Kowalewski M, Rouxel JR, Bencivenga F, Mukamel S, Masciovecchio C.

Sci Rep. 2018 Oct 18;8(1):15466. doi: 10.1038/s41598-018-33607-4.

22.

Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene.

Osipov VA, Kowalewski M, Mukamel S.

Proc Natl Acad Sci U S A. 2018 Oct 9;115(41):10269-10274. doi: 10.1073/pnas.1811983115. Epub 2018 Sep 25.

23.

Entangled Two-Photon Absorption Spectroscopy.

Schlawin F, Dorfman KE, Mukamel S.

Acc Chem Res. 2018 Sep 18;51(9):2207-2214. doi: 10.1021/acs.accounts.8b00173. Epub 2018 Sep 4.

PMID:
30179458
24.

X-Ray Sum Frequency Diffraction for Direct Imaging of Ultrafast Electron Dynamics.

Rouxel JR, Kowalewski M, Bennett K, Mukamel S.

Phys Rev Lett. 2018 Jun 15;120(24):243902. doi: 10.1103/PhysRevLett.120.243902.

PMID:
29956957
25.

Monitoring Ultrafast Spin Crossover Intermediates in an Iron(II) Complex by Broad Band Stimulated X-ray Raman Spectroscopy.

Zhang Y, Bennett K, Mukamel S.

J Phys Chem A. 2018 Aug 16;122(32):6524-6531. doi: 10.1021/acs.jpca.8b01762. Epub 2018 Aug 6.

PMID:
29944375
26.

Correction to "Wigner-Lindblad Equations for Quantum Friction".

Bondar DI, Cabrera R, Campos A, Mukamel S, Rabitz HA.

J Phys Chem Lett. 2018 Jun 21;9(12):3503. doi: 10.1021/acs.jpclett.8b01793. Epub 2018 Jun 13. No abstract available.

PMID:
29897760
27.

Monitoring molecular nonadiabatic dynamics with femtosecond X-ray diffraction.

Bennett K, Kowalewski M, Rouxel JR, Mukamel S.

Proc Natl Acad Sci U S A. 2018 Jun 26;115(26):6538-6547. doi: 10.1073/pnas.1805335115. Epub 2018 Jun 11.

28.

Diffraction-Detected Sum Frequency Generation: Novel Ultrafast X-ray Probe of Molecular Dynamics.

Rouxel JR, Kowalewski M, Mukamel S.

J Phys Chem Lett. 2018 Jun 21;9(12):3392-3396. doi: 10.1021/acs.jpclett.8b01095. Epub 2018 Jun 7.

PMID:
29863349
29.

Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy.

Segarra-Martí J, Mukamel S, Garavelli M, Nenov A, Rivalta I.

Top Curr Chem (Cham). 2018 Jun 1;376(3):24. doi: 10.1007/s41061-018-0201-8. Review.

30.

Reply to Stirnemann et al.: Frame retardation is the key reason behind the general slowdown of water reorientation dynamics in concentrated electrolytes.

Zhang Q, Wu T, Chen C, Mukamel S, Zhuang W.

Proc Natl Acad Sci U S A. 2018 May 29;115(22):E4955-E4956. doi: 10.1073/pnas.1805682115. Epub 2018 May 10. No abstract available.

31.

Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths.

Ross M, Andersen A, Fox ZW, Zhang Y, Hong K, Lee JH, Cordones A, March AM, Doumy G, Southworth SH, Marcus MA, Schoenlein RW, Mukamel S, Govind N, Khalil M.

J Phys Chem B. 2018 May 17;122(19):5075-5086. doi: 10.1021/acs.jpcb.7b12532. Epub 2018 May 9.

PMID:
29613798
32.

UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans-Azobenzene.

Nenov A, Borrego-Varillas R, Oriana A, Ganzer L, Segatta F, Conti I, Segarra-Marti J, Omachi J, Dapor M, Taioli S, Manzoni C, Mukamel S, Cerullo G, Garavelli M.

J Phys Chem Lett. 2018 Apr 5;9(7):1534-1541. doi: 10.1021/acs.jpclett.8b00152. Epub 2018 Mar 13.

33.

Monitoring polariton dynamics in the LHCII photosynthetic antenna in a microcavity by two-photon coincidence counting.

Zhang Z, Saurabh P, Dorfman KE, Debnath A, Mukamel S.

J Chem Phys. 2018 Feb 21;148(7):074302. doi: 10.1063/1.5004432.

PMID:
29471638
34.

Phase Cycling RT-TDDFT Simulation Protocol for Nonlinear XUV and X-ray Molecular Spectroscopy.

Cho D, Rouxel JR, Kowalewski M, Saurabh P, Lee JY, Mukamel S.

J Phys Chem Lett. 2018 Mar 1;9(5):1072-1078. doi: 10.1021/acs.jpclett.8b00061. Epub 2018 Feb 16.

PMID:
29431442
35.

Multidimensional photon correlation spectroscopy of cavity polaritons.

Dorfman KE, Mukamel S.

Proc Natl Acad Sci U S A. 2018 Feb 13;115(7):1451-1456. doi: 10.1073/pnas.1719443115. Epub 2018 Jan 31.

36.

Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates.

Segarra-Martí J, Jaiswal VK, Pepino AJ, Giussani A, Nenov A, Mukamel S, Garavelli M, Rivalta I.

Faraday Discuss. 2018 Apr 17;207(0):233-250. doi: 10.1039/c7fd00201g.

37.

Attosecond X-ray Diffraction Triggered by Core or Valence Ionization of a Dipeptide.

Cho D, Rouxel JR, Kowalewski M, Lee JY, Mukamel S.

J Chem Theory Comput. 2018 Jan 9;14(1):329-338. doi: 10.1021/acs.jctc.7b00920. Epub 2017 Dec 6.

PMID:
29140696
38.

X-ray circular dichroism signals: a unique probe of local molecular chirality.

Zhang Y, Rouxel JR, Autschbach J, Govind N, Mukamel S.

Chem Sci. 2017 Sep 1;8(9):5969-5978. doi: 10.1039/c7sc01347g. Epub 2017 Jun 26.

39.

Comment on "Self-Referenced Coherent Diffraction X-Ray Movie of Ångstrom- and Femtosecond-Scale Atomic Motion".

Bennett K, Kowalewski M, Mukamel S.

Phys Rev Lett. 2017 Aug 11;119(6):069301. doi: 10.1103/PhysRevLett.119.069301. Epub 2017 Aug 8. No abstract available.

40.

Simulating Coherent Multidimensional Spectroscopy of Nonadiabatic Molecular Processes: From the Infrared to the X-ray Regime.

Kowalewski M, Fingerhut BP, Dorfman KE, Bennett K, Mukamel S.

Chem Rev. 2017 Oct 11;117(19):12165-12226. doi: 10.1021/acs.chemrev.7b00081. Epub 2017 Sep 26.

PMID:
28949133
41.

Linear and nonlinear frequency- and time-domain spectroscopy with multiple frequency combs.

Bennett K, Rouxel JR, Mukamel S.

J Chem Phys. 2017 Sep 7;147(9):094304. doi: 10.1063/1.5000375.

42.

Molecular mechanism of water reorientational slowing down in concentrated ionic solutions.

Zhang Q, Wu T, Chen C, Mukamel S, Zhuang W.

Proc Natl Acad Sci U S A. 2017 Sep 19;114(38):10023-10028. doi: 10.1073/pnas.1707453114. Epub 2017 Sep 5.

43.

Utilizing Microcavities To Suppress Third-Order Cascades in Fifth-Order Raman Spectra.

Zhang Z, Bennett K, Chernyak V, Mukamel S.

J Phys Chem Lett. 2017 Jul 20;8(14):3387-3391. doi: 10.1021/acs.jpclett.7b01129. Epub 2017 Jul 11.

PMID:
28671843
44.

Non-local real-space analysis of chiral optical signals.

Rouxel JR, Chernyak VY, Mukamel S.

Chem Sci. 2016 Nov 1;7(11):6824-6831. doi: 10.1039/c6sc01743f. Epub 2016 Jul 11.

45.

Monitoring nonadiabatic avoided crossing dynamics in molecules by ultrafast X-ray diffraction.

Kowalewski M, Bennett K, Mukamel S.

Struct Dyn. 2017 May 26;4(5):054101. doi: 10.1063/1.4984241. eCollection 2017 Sep.

46.

A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes.

Segatta F, Cupellini L, Jurinovich S, Mukamel S, Dapor M, Taioli S, Garavelli M, Mennucci B.

J Am Chem Soc. 2017 Jun 7;139(22):7558-7567. doi: 10.1021/jacs.7b02130. Epub 2017 May 25.

PMID:
28513172
47.

On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides.

Giussani A, Marcheselli J, Mukamel S, Garavelli M, Nenov A.

Photochem Photobiol. 2017 Nov;93(6):1368-1380. doi: 10.1111/php.12770. Epub 2017 Jul 14.

PMID:
28380692
48.

Using coherence to enhance function in chemical and biophysical systems.

Scholes GD, Fleming GR, Chen LX, Aspuru-Guzik A, Buchleitner A, Coker DF, Engel GS, van Grondelle R, Ishizaki A, Jonas DM, Lundeen JS, McCusker JK, Mukamel S, Ogilvie JP, Olaya-Castro A, Ratner MA, Spano FC, Whaley KB, Zhu X.

Nature. 2017 Mar 29;543(7647):647-656. doi: 10.1038/nature21425. Review.

49.

Manipulating molecules with quantum light.

Kowalewski M, Mukamel S.

Proc Natl Acad Sci U S A. 2017 Mar 28;114(13):3278-3280. doi: 10.1073/pnas.1702160114. Epub 2017 Mar 16. No abstract available.

50.

Photoinduced molecular chirality probed by ultrafast resonant X-ray spectroscopy.

Rouxel JR, Kowalewski M, Mukamel S.

Struct Dyn. 2017 Feb 1;4(4):044006. doi: 10.1063/1.4974260. eCollection 2017 Jul.

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