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Items: 1 to 50 of 102

1.

Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation.

Paquier J, Toulouse J.

J Chem Phys. 2018 Nov 7;149(17):174110. doi: 10.1063/1.5049773.

PMID:
30408990
2.

The balance of sleep: Role of the vestibular sensory system.

Besnard S, Tighilet B, Chabbert C, Hitier M, Toulouse J, Le Gall A, Machado ML, Smith PF.

Sleep Med Rev. 2018 Dec;42:220-228. doi: 10.1016/j.smrv.2018.09.001. Epub 2018 Sep 8. Review.

PMID:
30293919
3.

The role of the neuropediatrician in pediatric intensive care unit: Diagnosis, therapeutics and major participation in collaborative multidisciplinary deliberations about life-sustaining treatments' withdrawal.

Toulouse J, Hully M, Brossier D, Viallard ML, de Saint Blanquat L, Renolleau S, Kossorotoff M, Desguerre I.

Eur J Paediatr Neurol. 2018 Sep 14. pii: S1090-3798(18)30070-9. doi: 10.1016/j.ejpn.2018.09.002. [Epub ahead of print]

PMID:
30262235
4.

Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H2.

Labeye M, Zapata F, Coccia E, Véniard V, Toulouse J, Caillat J, Taïeb R, Luppi E.

J Chem Theory Comput. 2018 Nov 13;14(11):5846-5858. doi: 10.1021/acs.jctc.8b00656. Epub 2018 Oct 15.

PMID:
30247900
5.

Differential regulation of NMDA receptor-expressing neurons in the rat hippocampus and striatum following bilateral vestibular loss demonstrated using flow cytometry.

Benoit A, Besnard S, Guillamin M, Philoxene B, Sola B, Le Gall A, Machado ML, Toulouse J, Hitier M, Smith PF.

Neurosci Lett. 2018 Sep 14;683:43-47. doi: 10.1016/j.neulet.2018.06.035. Epub 2018 Jun 21.

PMID:
29936267
6.

Multiconfigurational short-range density-functional theory for open-shell systems.

Hedegård ED, Toulouse J, Jensen HJA.

J Chem Phys. 2018 Jun 7;148(21):214103. doi: 10.1063/1.5013306.

PMID:
29884047
7.

A general range-separated double-hybrid density-functional theory.

Kalai C, Toulouse J.

J Chem Phys. 2018 Apr 28;148(16):164105. doi: 10.1063/1.5025561.

PMID:
29716225
8.

Casimir-Polder Size Consistency: A Constraint Violated by Some Dispersion Theories.

Gould T, Toulouse J, Ángyán JG, Dobson JF.

J Chem Theory Comput. 2017 Dec 12;13(12):5829-5833. doi: 10.1021/acs.jctc.7b00996. Epub 2017 Nov 10.

PMID:
29111709
9.

[Pasteurella multocida meningoencephalitis in a 14-year-old child].

Kuoch L, Villedieu F, Favaretto G, Toulouse J, Mignot L, Jokic M.

Arch Pediatr. 2017 Oct;24(10):1005-1009. doi: 10.1016/j.arcped.2017.07.012. Epub 2017 Sep 15. French.

PMID:
28927775
10.

Transglutaminase-Catalyzed Bioconjugation Using One-Pot Metal-Free Bioorthogonal Chemistry.

Rachel NM, Toulouse JL, Pelletier JN.

Bioconjug Chem. 2017 Oct 18;28(10):2518-2523. doi: 10.1021/acs.bioconjchem.7b00509. Epub 2017 Sep 14.

PMID:
28898047
11.

Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets.

Coccia E, Assaraf R, Luppi E, Toulouse J.

J Chem Phys. 2017 Jul 7;147(1):014106. doi: 10.1063/1.4991563.

PMID:
28688444
12.

Investigation of Classical Organic and Ionic Liquid Cosolvents for Early-Stage Screening in Fragment-Based Inhibitor Design with Unrelated Bacterial and Human Dihydrofolate Reductases.

Toulouse JL, Abraham SMJ, Kadnikova N, Bastien D, Gauchot V, Schmitzer AR, Pelletier JN.

Assay Drug Dev Technol. 2017 May/Jun;15(4):141-153. doi: 10.1089/adt.2016.768. Epub 2017 Apr 20.

PMID:
28426233
13.

Integron-Associated DfrB4, a Previously Uncharacterized Member of the Trimethoprim-Resistant Dihydrofolate Reductase B Family, Is a Clinically Identified Emergent Source of Antibiotic Resistance.

Toulouse JL, Edens TJ, Alejaldre L, Manges AR, Pelletier JN.

Antimicrob Agents Chemother. 2017 Apr 24;61(5). pii: e02665-16. doi: 10.1128/AAC.02665-16. Print 2017 May.

14.

Blind test of density-functional-based methods on intermolecular interaction energies.

Taylor DE, Ángyán JG, Galli G, Zhang C, Gygi F, Hirao K, Song JW, Rahul K, Anatole von Lilienfeld O, Podeszwa R, Bulik IW, Henderson TM, Scuseria GE, Toulouse J, Peverati R, Truhlar DG, Szalewicz K.

J Chem Phys. 2016 Sep 28;145(12):124105.

PMID:
27782652
15.

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method.

Śmiga S, Franck O, Mussard B, Buksztel A, Grabowski I, Luppi E, Toulouse J.

J Chem Phys. 2016 Oct 14;145(14):144102.

PMID:
27782500
16.

Spatial abilities and anatomy knowledge assessment: A systematic review.

Langlois J, Bellemare C, Toulouse J, Wells GA.

Anat Sci Educ. 2017 Jun;10(3):235-241. doi: 10.1002/ase.1655. Epub 2016 Oct 12. Review.

PMID:
27731946
17.

[Comparison of palliative care representations between pediatrician residents and oncologist residents: A qualitative study].

Toulouse J, Leneveu MC, Brouard J, Alexandre M.

Arch Pediatr. 2016 Jun;23(6):577-83. doi: 10.1016/j.arcped.2016.03.053. Epub 2016 Apr 26. French.

PMID:
27133365
18.

Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel.

Rebolini E, Toulouse J.

J Chem Phys. 2016 Mar 7;144(9):094107. doi: 10.1063/1.4943003.

PMID:
26957157
19.

Spatial abilities and technical skills performance in health care: a systematic review.

Langlois J, Bellemare C, Toulouse J, Wells GA.

Med Educ. 2015 Nov;49(11):1065-85. doi: 10.1111/medu.12786. Review.

PMID:
26494061
20.

Range-separated double-hybrid density-functional theory applied to periodic systems.

Sansone G, Civalleri B, Usvyat D, Toulouse J, Sharkas K, Maschio L.

J Chem Phys. 2015 Sep 14;143(10):102811. doi: 10.1063/1.4922996.

21.

Naked-eye nanobiosensor for therapeutic drug monitoring of methotrexate.

Yockell-Lelièvre H, Bukar N, Toulouse JL, Pelletier JN, Masson JF.

Analyst. 2016 Jan 21;141(2):697-703. doi: 10.1039/c5an00996k.

PMID:
26229988
22.

Erratum: "Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights" [J. Chem. Phys. 142, 154123 (2015)].

Mussard B, Reinhardt P, Ángyán JG, Toulouse J.

J Chem Phys. 2015 Jun 7;142(21):219901. doi: 10.1063/1.4921987. No abstract available.

PMID:
26049531
23.

Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights.

Mussard B, Reinhardt P, Ángyán JG, Toulouse J.

J Chem Phys. 2015 Apr 21;142(15):154123. doi: 10.1063/1.4918710. Erratum in: J Chem Phys. 2015 Jun 7;142(21):219901.

PMID:
25903882
24.

Basis convergence of range-separated density-functional theory.

Franck O, Mussard B, Luppi E, Toulouse J.

J Chem Phys. 2015 Feb 21;142(7):074107. doi: 10.1063/1.4907920.

PMID:
25702002
25.

Miniature multi-channel SPR instrument for methotrexate monitoring in clinical samples.

Zhao SS, Bukar N, Toulouse JL, Pelechacz D, Robitaille R, Pelletier JN, Masson JF.

Biosens Bioelectron. 2015 Feb 15;64:664-70. doi: 10.1016/j.bios.2014.09.082. Epub 2014 Oct 2.

PMID:
25441416
26.

Excitation energies along a range-separated adiabatic connection.

Rebolini E, Toulouse J, Teale AM, Helgaker T, Savin A.

J Chem Phys. 2014 Jul 28;141(4):044123. doi: 10.1063/1.4890652.

PMID:
25084897
27.

Double-hybrid density-functional theory applied to molecular crystals.

Sharkas K, Toulouse J, Maschio L, Civalleri B.

J Chem Phys. 2014 Jul 28;141(4):044105. doi: 10.1063/1.4890439.

28.

Double-hybrid density-functional theory with meta-generalized-gradient approximations.

Souvi SM, Sharkas K, Toulouse J.

J Chem Phys. 2014 Feb 28;140(8):084107. doi: 10.1063/1.4865963.

PMID:
24588148
29.

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.

Stoyanova A, Teale AM, Toulouse J, Helgaker T, Fromager E.

J Chem Phys. 2013 Oct 7;139(13):134113. doi: 10.1063/1.4822135.

PMID:
24116558
30.

Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients.

Toulouse J, Rebolini E, Gould T, Dobson JF, Seal P, Ángyán JG.

J Chem Phys. 2013 May 21;138(19):194106. doi: 10.1063/1.4804981.

PMID:
23697408
31.

A multiconfigurational hybrid density-functional theory.

Sharkas K, Savin A, Jensen HJ, Toulouse J.

J Chem Phys. 2012 Jul 28;137(4):044104.

PMID:
22852594
32.

Approaching chemical accuracy with quantum Monte Carlo.

Petruzielo FR, Toulouse J, Umrigar CJ.

J Chem Phys. 2012 Mar 28;136(12):124116. doi: 10.1063/1.3697846.

PMID:
22462844
33.

Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase.

Bastien D, Ebert MC, Forge D, Toulouse J, Kadnikova N, Perron F, Mayence A, Huang TL, Vanden Eynde JJ, Pelletier JN.

J Med Chem. 2012 Apr 12;55(7):3182-92. doi: 10.1021/jm201645r. Epub 2012 Mar 28.

PMID:
22424148
34.

Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach.

Ángyán JG, Liu RF, Toulouse J, Jansen G.

J Chem Theory Comput. 2011 Oct 11;7(10):3116-30. doi: 10.1021/ct200501r. Epub 2011 Sep 22.

PMID:
26598155
35.

Communication: rationale for a new class of double-hybrid approximations in density-functional theory.

Toulouse J, Sharkas K, Brémond E, Adamo C.

J Chem Phys. 2011 Sep 14;135(10):101102. doi: 10.1063/1.3640019.

PMID:
21932868
36.

Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions.

Toulouse J, Zhu W, Savin A, Jansen G, Ángyán JG.

J Chem Phys. 2011 Aug 28;135(8):084119. doi: 10.1063/1.3626551.

PMID:
21895171
37.

Tunable third-harmonic generation in a solid-core tellurite glass fiber.

Lin A, Ryasnyanskiy A, Toulouse J.

Opt Lett. 2011 Sep 1;36(17):3437-9. doi: 10.1364/OL.36.003437.

PMID:
21886236
38.

Ab initio study of linear and nonlinear optical properties of mixed tellurite-chalcogenide glasses.

Jin Z, Biaggio I, Toulouse J.

J Phys Condens Matter. 2010 Apr 28;22(16):165903. doi: 10.1088/0953-8984/22/16/165903. Epub 2010 Apr 6.

PMID:
21386426
39.

Fabrication and characterization of a water-free mid-infrared fluorotellurite glass.

Lin A, Ryasnyanskiy A, Toulouse J.

Opt Lett. 2011 Mar 1;36(5):740-2. doi: 10.1364/OL.36.000740.

PMID:
21368967
40.

Quantum Monte Carlo with Jastrow-valence-bond wave functions.

Braïda B, Toulouse J, Caffarel M, Umrigar CJ.

J Chem Phys. 2011 Feb 28;134(8):084108. doi: 10.1063/1.3555821.

PMID:
21361528
41.

Double-hybrid density-functional theory made rigorous.

Sharkas K, Toulouse J, Savin A.

J Chem Phys. 2011 Feb 14;134(6):064113. doi: 10.1063/1.3544215.

PMID:
21322667
42.

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

Petruzielo FR, Toulouse J, Umrigar CJ.

J Chem Phys. 2011 Feb 14;134(6):064104. doi: 10.1063/1.3551512.

PMID:
21322658
43.
44.

Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions.

Zhu W, Toulouse J, Savin A, Angyán JG.

J Chem Phys. 2010 Jun 28;132(24):244108. doi: 10.1063/1.3431616.

PMID:
20590182
45.

Intense green upconversion emission in Tb3+/Yb3+ codoped alumino-germano-silicate optical fibers.

Lin A, Liu X, Watekar PR, Guo H, Peng B, Wei W, Lu M, Han WT, Toulouse J.

Appl Opt. 2010 Mar 20;49(9):1671-5. doi: 10.1364/AO.49.001671.

PMID:
20300166
46.

Compact and flexible basis functions for quantum Monte Carlo calculations.

Petruzielo FR, Toulouse J, Umrigar CJ.

J Chem Phys. 2010 Mar 7;132(9):094109. doi: 10.1063/1.3342062.

PMID:
20210391
47.

Nonlinear inter-core coupling in triple-core photonic crystal fibers.

Yan Y, Toulouse J.

Opt Express. 2009 Oct 26;17(22):20272-81. doi: 10.1364/OE.17.020272.

PMID:
19997253
48.

Distributed fiber sensor based on modulated pulse base reflection and Brillouin gain spectrum analysis.

Cui Q, Pamukcu S, Xiao W, Guintrand C, Toulouse J, Pervizpour M.

Appl Opt. 2009 Oct 20;48(30):5823-8. doi: 10.1364/AO.48.005823.

PMID:
19844320
49.

Excited states of methylene from quantum Monte Carlo.

Zimmerman PM, Toulouse J, Zhang Z, Musgrave CB, Umrigar CJ.

J Chem Phys. 2009 Sep 28;131(12):124103. doi: 10.1063/1.3220671.

PMID:
19791848
50.

Solid-core tellurite glass fiber for infrared and nonlinear applications.

Lin A, Zhang A, Bushong EJ, Toulouse J.

Opt Express. 2009 Sep 14;17(19):16716-21. doi: 10.1364/OE.17.016716.

PMID:
19770886

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