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Items: 1 to 50 of 74

1.

Pendular alignment and strong chemical binding are induced in helium dimer molecules by intense laser fields.

Wei Q, Kais S, Yasuike T, Herschbach D.

Proc Natl Acad Sci U S A. 2018 Sep 7. pii: 201810102. doi: 10.1073/pnas.1810102115. [Epub ahead of print]

PMID:
30194233
2.

Elucidation of near-resonance vibronic coherence lifetimes by nonadiabatic electronic-vibrational state character mixing.

Yeh SH, Hoehn RD, Allodi MA, Engel GS, Kais S.

Proc Natl Acad Sci U S A. 2018 Aug 9. pii: 201701390. doi: 10.1073/pnas.1701390115. [Epub ahead of print]

PMID:
30093387
3.

Connecting bright and dark states through accidental degeneracy caused by lack of symmetry.

Hu Z, Engel GS, Kais S.

J Chem Phys. 2018 May 28;148(20):204307. doi: 10.1063/1.5026116.

PMID:
29865841
4.

Tuning the Stereoselectivity and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: Isomerization of Glyoxal in Different Solvent Environments.

Zhong J, Carignano MA, Kais S, Zeng XC, Francisco JS, Gladich I.

J Am Chem Soc. 2018 Apr 25;140(16):5535-5543. doi: 10.1021/jacs.8b01503. Epub 2018 Apr 12.

PMID:
29619831
5.

Dark states and delocalization: Competing effects of quantum coherence on the efficiency of light harvesting systems.

Hu Z, Engel GS, Alharbi FH, Kais S.

J Chem Phys. 2018 Feb 14;148(6):064304. doi: 10.1063/1.5009903.

PMID:
29448771
6.

Improved Photoactivity of Pyroxene Silicates by Cation Substitutions.

Legesse M, Park H, El Mellouhi F, Rashkeev SN, Kais S, Alharbi FH.

Chemphyschem. 2018 Apr 17;19(8):943-953. doi: 10.1002/cphc.201701155. Epub 2018 Feb 23.

PMID:
29314507
7.

Effect of Time-Delayed Feedback on the Interaction of a Dimer System with its Environment.

Farhat M, Kais S, Alharbi FH.

Sci Rep. 2017 Nov 13;7(1):15468. doi: 10.1038/s41598-017-15185-z.

8.

Electronic Structure Calculations and the Ising Hamiltonian.

Xia R, Bian T, Kais S.

J Phys Chem B. 2018 Apr 5;122(13):3384-3395. doi: 10.1021/acs.jpcb.7b10371. Epub 2017 Nov 20.

PMID:
29099600
9.

Plasmonically Enhanced Schottky Photovoltaic Devices.

Farhat M, Kais S, Alharbi FH.

Sci Rep. 2017 Oct 27;7(1):14253. doi: 10.1038/s41598-017-14528-0.

10.

Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials.

Madjet ME, Berdiyorov GR, El-Mellouhi F, Alharbi FH, Akimov AV, Kais S.

J Phys Chem Lett. 2017 Sep 21;8(18):4439-4445. doi: 10.1021/acs.jpclett.7b01732. Epub 2017 Sep 6.

PMID:
28862451
11.

Experimental evaluation of the generalized vibrational theory of G protein-coupled receptor activation.

Hoehn RD, Nichols DE, McCorvy JD, Neven H, Kais S.

Proc Natl Acad Sci U S A. 2017 May 30;114(22):5595-5600. doi: 10.1073/pnas.1618422114. Epub 2017 May 12.

12.

Entropic uncertainty relations for Markovian and non-Markovian processes under a structured bosonic reservoir.

Wang D, Huang AJ, Hoehn RD, Ming F, Sun WY, Shi JD, Ye L, Kais S.

Sci Rep. 2017 Apr 21;7(1):1066. doi: 10.1038/s41598-017-01094-8.

13.

Mechanism of Me-Re Bond Addition to Platinum(II) and Dioxygen Activation by the Resulting Pt-Re Bimetallic Center.

Pichaandi KR, Kabalan L, Amini H, Zhang G, Zhu H, Kenttämaa HI, Fanwick PE, Miller JT, Kais S, Nabavizadeh SM, Rashdi M, Abu-Omar MM.

Inorg Chem. 2017 Feb 20;56(4):2145-2152. doi: 10.1021/acs.inorgchem.6b02801. Epub 2017 Feb 6.

PMID:
28165752
14.

Solar Cell Materials by Design: Hybrid Pyroxene Corner-Sharing VO4 Tetrahedral Chains.

El-Mellouhi F, Akande A, Motta C, Rashkeev SN, Berdiyorov G, Madjet ME, Marzouk A, Bentria ET, Sanvito S, Kais S, Alharbi FH.

ChemSusChem. 2017 May 9;10(9):1931-1942. doi: 10.1002/cssc.201700121. Epub 2017 Mar 21.

PMID:
28164465
15.

Interfaces Select Specific Stereochemical Conformations: The Isomerization of Glyoxal at the Liquid Water Interface.

Zhu C, Kais S, Zeng XC, Francisco JS, Gladich I.

J Am Chem Soc. 2017 Jan 11;139(1):27-30. doi: 10.1021/jacs.6b10208. Epub 2016 Nov 16.

PMID:
28073251
16.

Community Capitals as Community Resilience to Climate Change: Conceptual Connections.

Kais SM, Islam MS.

Int J Environ Res Public Health. 2016 Dec 6;13(12). pii: E1211.

17.

Dark states enhance the photocell power via phononic dissipation.

Zhang Y, Wirthwein A, Alharbi FH, Engel GS, Kais S.

Phys Chem Chem Phys. 2016 Nov 23;18(46):31845-31849.

PMID:
27841390
18.

Quantum Computation using Arrays of N Polar Molecules in Pendular States.

Wei Q, Cao Y, Kais S, Friedrich B, Herschbach D.

Chemphyschem. 2016 Nov 18;17(22):3714-3722. doi: 10.1002/cphc.201600781. Epub 2016 Oct 21.

PMID:
27767247
19.

Solving Set Cover with Pairs Problem using Quantum Annealing.

Cao Y, Jiang S, Perouli D, Kais S.

Sci Rep. 2016 Sep 27;6:33957. doi: 10.1038/srep33957.

20.

Hydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites.

El-Mellouhi F, Marzouk A, Bentria ET, Rashkeev SN, Kais S, Alharbi FH.

ChemSusChem. 2016 Sep 22;9(18):2648-2655. doi: 10.1002/cssc.201600864. Epub 2016 Sep 8.

PMID:
27604510
21.

Enhancing Intrinsic Stability of Hybrid Perovskite Solar Cell by Strong, yet Balanced, Electronic Coupling.

El-Mellouhi F, Bentria el T, Rashkeev SN, Kais S, Alharbi FH.

Sci Rep. 2016 Jul 26;6:30305. doi: 10.1038/srep30305.

22.

Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface.

Hoehn RD, Carignano MA, Kais S, Zhu C, Zhong J, Zeng XC, Francisco JS, Gladich I.

J Chem Phys. 2016 Jun 7;144(21):214701. doi: 10.1063/1.4950951.

PMID:
27276960
23.

Analytic ab initio-based molecular interaction potential for the BrO⋅H2O complex.

Hoehn RD, Yeole SD, Kais S, Francisco JS.

J Chem Phys. 2016 May 28;144(20):204121. doi: 10.1063/1.4950956.

PMID:
27250293
24.

Diet and Inflammatory Bowel Disease.

Knight-Sepulveda K, Kais S, Santaolalla R, Abreu MT.

Gastroenterol Hepatol (N Y). 2015 Aug;11(8):511-20.

25.

Continuous negative external pressure (cNEP) reduces respiratory impairment during screening colonoscopy: a pilot study.

Kais SS, Klein KB, Rose RM, Endemann S, Coyle WJ.

Endoscopy. 2016 Jun;48(6):584-7. doi: 10.1055/s-0042-102533. Epub 2016 Apr 25.

PMID:
27110692
26.

Prospects for quantum computing with an array of ultracold polar paramagnetic molecules.

Karra M, Sharma K, Friedrich B, Kais S, Herschbach D.

J Chem Phys. 2016 Mar 7;144(9):094301. doi: 10.1063/1.4942928.

PMID:
26957163
27.

Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere.

Oh S, Hu X, Nori F, Kais S.

Sci Rep. 2016 Feb 26;6:20824. doi: 10.1038/srep20824.

28.

Enhancing the carrier thermalization time in organometallic perovskites by halide mixing.

Madjet Mel-A, Akimov AV, El-Mellouhi F, Berdiyorov GR, Ashhab S, Tabet N, Kais S.

Phys Chem Chem Phys. 2016 Feb 21;18(7):5219-31. doi: 10.1039/c5cp06603d.

PMID:
26812955
29.

Domain Walls Conductivity in Hybrid Organometallic Perovskites and Their Essential Role in CH3NH3PbI3 Solar Cell High Performance.

Rashkeev SN, El-Mellouhi F, Kais S, Alharbi FH.

Sci Rep. 2015 Jun 19;5:11467. doi: 10.1038/srep11467.

30.

Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3.

Motta C, El-Mellouhi F, Kais S, Tabet N, Alharbi F, Sanvito S.

Nat Commun. 2015 Apr 27;6:7026. doi: 10.1038/ncomms8026.

31.

Neuroreceptor activation by vibration-assisted tunneling.

Hoehn RD, Nichols D, Neven H, Kais S.

Sci Rep. 2015 Apr 24;5:9990. doi: 10.1038/srep09990.

32.

Delocalized quantum states enhance photocell efficiency.

Zhang Y, Oh S, Alharbi FH, Engel GS, Kais S.

Phys Chem Chem Phys. 2015 Feb 28;17(8):5743-50. doi: 10.1039/c4cp05310a.

PMID:
25622523
33.

Simulated two-dimensional electronic spectroscopy of the eight-bacteriochlorophyll FMO complex.

Yeh SH, Kais S.

J Chem Phys. 2014 Dec 21;141(23):234105. doi: 10.1063/1.4903546.

PMID:
25527917
34.

An agent-based model approach to multi-phase life-cycle for contact inhibited, anchorage dependent cells.

Hoehn RD, Schreder AM, Rez MF, Kais S.

Interdiscip Sci. 2014 Dec;6(4):312-22. doi: 10.1007/s12539-012-0236-4. Epub 2014 Nov 6.

PMID:
25519151
35.

Transitionless driving on adiabatic search algorithm.

Oh S, Kais S.

J Chem Phys. 2014 Dec 14;141(22):224108. doi: 10.1063/1.4903451.

PMID:
25494733
36.

Sensitivity and entanglement in the avian chemical compass.

Zhang Y, Berman GP, Kais S.

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Oct;90(4):042707. Epub 2014 Oct 10.

PMID:
25375523
37.

Quantum coherence and entanglement in the avian compass.

Pauls JA, Zhang Y, Berman GP, Kais S.

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Jun;87(6):062704. Epub 2013 Jun 11.

PMID:
23848712
38.

Quantum criticality analysis by finite-size scaling and exponential basis sets.

Alharbi FH, Kais S.

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Apr;87(4):043308. Epub 2013 Apr 30.

PMID:
23679549
39.

Implementation of quantum logic gates using polar molecules in pendular states.

Zhu J, Kais S, Wei Q, Herschbach D, Friedrich B.

J Chem Phys. 2013 Jan 14;138(2):024104. doi: 10.1063/1.4774058.

PMID:
23320665
40.

Universal programmable quantum circuit schemes to emulate an operator.

Daskin A, Grama A, Kollias G, Kais S.

J Chem Phys. 2012 Dec 21;137(23):234112. doi: 10.1063/1.4772185.

PMID:
23267476
41.

Population and coherence dynamics in light harvesting complex II (LH2).

Yeh SH, Zhu J, Kais S.

J Chem Phys. 2012 Aug 28;137(8):084110. doi: 10.1063/1.4747622.

PMID:
22938221
42.

Multipartite quantum entanglement evolution in photosynthetic complexes.

Zhu J, Kais S, Aspuru-Guzik A, Rodriques S, Brock B, Love PJ.

J Chem Phys. 2012 Aug 21;137(7):074112.

PMID:
22920108
43.

Finite-size scaling for quantum criticality using the finite-element method.

Antillon E, Wehefritz-Kaufmann B, Kais S.

Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Mar;85(3 Pt 2):036706. Epub 2012 Mar 15.

PMID:
22587208
44.
45.

Entanglement of polar symmetric top molecules as candidate qubits.

Wei Q, Kais S, Friedrich B, Herschbach D.

J Chem Phys. 2011 Oct 21;135(15):154102. doi: 10.1063/1.3649949.

PMID:
22029292
46.

Decomposition of unitary matrices for finding quantum circuits: application to molecular Hamiltonians.

Daskin A, Kais S.

J Chem Phys. 2011 Apr 14;134(14):144112. doi: 10.1063/1.3575402.

PMID:
21495747
47.

Entanglement of polar molecules in pendular states.

Wei Q, Kais S, Friedrich B, Herschbach D.

J Chem Phys. 2011 Mar 28;134(12):124107. doi: 10.1063/1.3567486.

PMID:
21456645
48.

Modified scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes.

Zhu J, Kais S, Rebentrost P, Aspuru-Guzik A.

J Phys Chem B. 2011 Feb 17;115(6):1531-7. doi: 10.1021/jp109559p. Epub 2011 Jan 26.

PMID:
21268616
49.

DNA ligase 4 stabilizes the ribosomal DNA array upon fork collapse at the replication fork barrier.

Fritsch O, Burkhalter MD, Kais S, Sogo JM, Schär P.

DNA Repair (Amst). 2010 Aug 5;9(8):879-88. doi: 10.1016/j.dnarep.2010.05.003. Epub 2010 Jun 12.

PMID:
20541983
50.

Communications: Entanglement switch for dipole arrays.

Wei Q, Kais S, Chen YP.

J Chem Phys. 2010 Mar 28;132(12):121104. doi: 10.1063/1.3366522.

PMID:
20370107

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