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Items: 1 to 50 of 114

1.

One-Dimensional Adiabatic Model Approach for Calculating Progressions in Vibrational Spectra of Ion-Water Complexes.

Henderson BV, Jordan KD.

J Phys Chem A. 2019 Aug 15;123(32):7042-7050. doi: 10.1021/acs.jpca.9b04157. Epub 2019 Aug 1.

PMID:
31314534
2.

Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air-water interface.

Denton JK, Kelleher PJ, Johnson MA, Baer MD, Kathmann SM, Mundy CJ, Wellen Rudd BA, Allen HC, Choi TH, Jordan KD.

Proc Natl Acad Sci U S A. 2019 Jul 23;116(30):14874-14880. doi: 10.1073/pnas.1818600116. Epub 2019 Jul 5.

PMID:
31278149
3.

Reducing cryoEM file storage using lossy image formats.

Eng ET, Kopylov M, Negro CJ, Dallaykan S, Rice WJ, Jordan KD, Kelley K, Carragher B, Potter CS.

J Struct Biol. 2019 Jul 1;207(1):49-55. doi: 10.1016/j.jsb.2019.04.013. Epub 2019 May 21.

PMID:
31121317
4.

Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer.

Choi TH, Jordan KD.

Faraday Discuss. 2019 Jul 18;217(0):547-560. doi: 10.1039/c8fd00199e.

PMID:
30994120
5.

Prediction of a Nonvalence Temporary Anion Shape Resonance for a Model (H2O)4 System.

Kairalapova A, Jordan KD, Maienshein DN, Fair MC, Falcetta MF.

J Phys Chem A. 2019 Apr 4;123(13):2719-2726. doi: 10.1021/acs.jpca.8b11881. Epub 2019 Mar 19.

PMID:
30840459
6.

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR-IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core.

Duong CH, Yang N, Kelleher PJ, Johnson MA, DiRisio RJ, McCoy AB, Yu Q, Bowman JM, Henderson BV, Jordan KD.

J Phys Chem A. 2018 Dec 6;122(48):9275-9284. doi: 10.1021/acs.jpca.8b08507. Epub 2018 Oct 29.

PMID:
30351101
7.

Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods.

Hao H, Shee J, Upadhyay S, Ataca C, Jordan KD, Rubenstein BM.

J Phys Chem Lett. 2018 Nov 1;9(21):6185-6190. doi: 10.1021/acs.jpclett.8b02733. Epub 2018 Oct 15.

PMID:
30299101
8.

Mindful Eating: Connecting With the Wise Self, the Spiritual Self.

Kristeller JL, Jordan KD.

Front Psychol. 2018 Aug 14;9:1271. doi: 10.3389/fpsyg.2018.01271. eCollection 2018.

9.

High resolution single particle cryo-electron microscopy using beam-image shift.

Cheng A, Eng ET, Alink L, Rice WJ, Jordan KD, Kim LY, Potter CS, Carragher B.

J Struct Biol. 2018 Nov;204(2):270-275. doi: 10.1016/j.jsb.2018.07.015. Epub 2018 Jul 25.

PMID:
30055234
10.

Benchmarking cryo-EM Single Particle Analysis Workflow.

Kim LY, Rice WJ, Eng ET, Kopylov M, Cheng A, Raczkowski AM, Jordan KD, Bobe D, Potter CS, Carragher B.

Front Mol Biosci. 2018 Jun 4;5:50. doi: 10.3389/fmolb.2018.00050. eCollection 2018.

11.

Theoretical approaches for treating non-valence correlation-bound anions.

Voora VK, Kairalapova A, Sommerfeld T, Jordan KD.

J Chem Phys. 2017 Dec 7;147(21):214114. doi: 10.1063/1.4991497.

PMID:
29221378
12.
13.

Preface: Special Topic: From Quantum Mechanics to Force Fields.

Piquemal JP, Jordan KD.

J Chem Phys. 2017 Oct 28;147(16):161401. doi: 10.1063/1.5008887.

PMID:
29096449
14.

H4: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function.

Gasperich K, Deible M, Jordan KD.

J Chem Phys. 2017 Aug 21;147(7):074106. doi: 10.1063/1.4986216.

PMID:
28830169
15.

Spectroscopic snapshots of the proton-transfer mechanism in water.

Wolke CT, Fournier JA, Dzugan LC, Fagiani MR, Odbadrakh TT, Knorke H, Jordan KD, McCoy AB, Asmis KR, Johnson MA.

Science. 2016 Dec 2;354(6316):1131-1135.

PMID:
27934761
16.

Symmetry-Adapted Perturbation Theory Energy Analysis of Alkyl Fluorine-Aromatic Interactions in Torsion Balance Systems.

Sherman MC, Ams MR, Jordan KD.

J Phys Chem A. 2016 Nov 23;120(46):9292-9298. Epub 2016 Nov 10.

PMID:
27797186
17.

Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH- ⋅ (H2O)n=2,3 and OD- ⋅ (D2O)n=2,3 clusters.

Gorlova O, DePalma JW, Wolke CT, Brathwaite A, Odbadrakh TT, Jordan KD, McCoy AB, Johnson MA.

J Chem Phys. 2016 Oct 7;145(13):134304.

PMID:
27782420
18.

Erratum: "Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance" [J. Chem. Phys. 144, 104303 (2016)].

Falcetta MF, Fair MC, Tharnish EM, Williams LM, Hayes NJ, Jordan KD.

J Chem Phys. 2016 Jun 21;144(23):239901. doi: 10.1063/1.4954510. No abstract available.

PMID:
27334195
19.

Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance.

Falcetta MF, Fair MC, Tharnish EM, Williams LM, Hayes NJ, Jordan KD.

J Chem Phys. 2016 Mar 14;144(10):104303. doi: 10.1063/1.4943132. Erratum in: J Chem Phys. 2016 Jun 21;144(23):239901.

PMID:
26979689
20.

Medical student empathy: interpersonal distinctions and correlates.

Jordan KD, Foster PS.

Adv Health Sci Educ Theory Pract. 2016 Dec;21(5):1009-1022. doi: 10.1007/s10459-016-9675-8. Epub 2016 Mar 12.

PMID:
26971115
21.

Dispersion dipoles for coupled Drude oscillators.

Odbadrakh TT, Jordan KD.

J Chem Phys. 2016 Jan 21;144(3):034111. doi: 10.1063/1.4940217.

PMID:
26801024
22.

Nonvalence Correlation-Bound Anion States of Polycyclic Aromatic Hydrocarbons.

Voora VK, Jordan KD.

J Phys Chem Lett. 2015 Oct 15;6(20):3994-7. doi: 10.1021/acs.jpclett.5b01858. Epub 2015 Sep 24.

PMID:
26722767
23.

Theoretical Characterization of the Minimum-Energy Structure of (SF6)2.

Vazhappilly T, Marjolin A, Jordan KD.

J Phys Chem B. 2016 Mar 3;120(8):1788-92. doi: 10.1021/acs.jpcb.5b09419. Epub 2015 Dec 16.

PMID:
26619257
24.

Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts.

Sorescu DC, Byrd EF, Rice BM, Jordan KD.

J Chem Theory Comput. 2014 Nov 11;10(11):4982-94. doi: 10.1021/ct5005615.

PMID:
26584381
25.

Water network-mediated, electron-induced proton transfer in [C5H5N ⋅ (H2O)n](-) clusters.

DeBlase AF, Wolke CT, Weddle GH, Archer KA, Jordan KD, Kelly JT, Tschumper GS, Hammer NI, Johnson MA.

J Chem Phys. 2015 Oct 14;143(14):144305. doi: 10.1063/1.4931928.

26.

Eicosapentaenoic Acid Modulates Trichomonas vaginalis Activity.

Korosh T, Jordan KD, Wu JS, Yarlett N, Upmacis RK.

J Eukaryot Microbiol. 2016 Mar-Apr;63(2):153-61. doi: 10.1111/jeu.12263. Epub 2015 Sep 23.

PMID:
26333486
27.

Quantum Monte Carlo calculation of the binding energy of the beryllium dimer.

Deible MJ, Kessler M, Gasperich KE, Jordan KD.

J Chem Phys. 2015 Aug 28;143(8):084116. doi: 10.1063/1.4929351.

PMID:
26328827
28.

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H(+)(H2O)(n=2-28) Clusters.

Fournier JA, Wolke CT, Johnson MA, Odbadrakh TT, Jordan KD, Kathmann SM, Xantheas SS.

J Phys Chem A. 2015 Sep 10;119(36):9425-40. doi: 10.1021/acs.jpca.5b04355. Epub 2015 Jul 30.

PMID:
26158593
29.

Vibrio effector protein VopQ inhibits fusion of V-ATPase-containing membranes.

Sreelatha A, Bennett TL, Carpinone EM, O'Brien KM, Jordan KD, Burdette DL, Orth K, Starai VJ.

Proc Natl Acad Sci U S A. 2015 Jan 6;112(1):100-5. doi: 10.1073/pnas.1413764111. Epub 2014 Dec 1.

30.

Examining Opioid-Dependent Chronic Pain Patients Experiences On Buprenorphine Maintenance Therapy In The Texas Workers Compensation System: Pilot Study - Part 2.

Nwokeji ED, Rascati KL, Nemeth WC, Jordan KD, Novak S.

Value Health. 2014 Nov;17(7):A769-70. doi: 10.1016/j.jval.2014.08.308. Epub 2014 Oct 26. No abstract available.

31.

Interpersonal motives and social-evaluative threat: Effects of acceptance and status stressors on cardiovascular reactivity and salivary cortisol response.

Smith TW, Jordan KD.

Psychophysiology. 2015 Feb;52(2):269-76. doi: 10.1111/psyp.12318. Epub 2014 Aug 18.

PMID:
25134736
32.

Nonvalence correlation-bound anion states of spherical fullerenes.

Voora VK, Jordan KD.

Nano Lett. 2014 Aug 13;14(8):4602-6. doi: 10.1021/nl5016574. Epub 2014 Jul 3.

PMID:
24978808
33.

Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region.

Heine N, Kratz EG, Bergmann R, Schofield DP, Asmis KR, Jordan KD, McCoy AB.

J Phys Chem A. 2014 Sep 18;118(37):8188-97. doi: 10.1021/jp500964j. Epub 2014 Apr 18.

PMID:
24746257
34.

Molecular dynamics simulations of turbostratic dry and hydrated montmorillonite with intercalated carbon dioxide.

Myshakin EM, Makaremi M, Romanov VN, Jordan KD, Guthrie GD.

J Phys Chem A. 2014 Sep 4;118(35):7454-68. doi: 10.1021/jp500221w. Epub 2014 May 6.

PMID:
24745358
35.

Theoretical study of the binding energy of a methane molecule in a (H2O)20 dodecahedral cage.

Deible MJ, Tuguldur O, Jordan KD.

J Phys Chem B. 2014 Jul 17;118(28):8257-63. doi: 10.1021/jp501592h. Epub 2014 May 1.

PMID:
24739053
36.

Assessment of various electronic structure methods for characterizing temporary anion states: application to the ground state anions of N2, C2H2, C2H4, and C6H6.

Falcetta MF, DiFalco LA, Ackerman DS, Barlow JC, Jordan KD.

J Phys Chem A. 2014 Sep 4;118(35):7489-97. doi: 10.1021/jp5003287. Epub 2014 Feb 18.

PMID:
24512273
37.

Nonvalence correlation-bound anion state of C6F6: doorway to low-energy electron capture.

Voora VK, Jordan KD.

J Phys Chem A. 2014 Sep 4;118(35):7201-5. doi: 10.1021/jp408386f. Epub 2013 Nov 18.

PMID:
24180211
38.

An interpersonal approach to religiousness and spirituality: implications for health and well-being.

Jordan KD, Masters KS, Hooker SA, Ruiz JM, Smith TW.

J Pers. 2014 Oct;82(5):418-31. doi: 10.1111/jopy.12072. Epub 2013 Nov 12.

PMID:
24102448
39.

Excited electronic state mixing in 7-azaindole. Quantitative measurements using the Stark effect.

Young JW, Pozun ZD, Jordan KD, Pratt DW.

J Phys Chem B. 2013 Dec 12;117(49):15695-700. doi: 10.1021/jp406412f. Epub 2013 Oct 14.

PMID:
24028449
40.

Establishing the ground state of the disjoint diradical tetramethyleneethane with quantum Monte Carlo.

Pozun ZD, Su X, Jordan KD.

J Am Chem Soc. 2013 Sep 18;135(37):13862-9. doi: 10.1021/ja406002n. Epub 2013 Sep 4.

PMID:
23947763
41.

Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: Anharmonic analysis of protonated 1,8-disubstituted naphthalene ions.

DeBlase AF, Bloom S, Lectka T, Jordan KD, McCoy AB, Johnson MA.

J Chem Phys. 2013 Jul 14;139(2):024301. doi: 10.1063/1.4810878.

PMID:
23862937
42.

Benchmark study of the interaction energy for an (H2O)16 cluster: quantum Monte Carlo and complete basis set limit MP2 results.

Wang FF, Deible MJ, Jordan KD.

J Phys Chem A. 2013 Aug 15;117(32):7606-11. doi: 10.1021/jp404541c. Epub 2013 Jun 26.

PMID:
23763299
43.

Correlation Consistent Gaussian Basis Sets for H, B-Ne with Dirac-Fock AREP Pseudopotentials: Applications in Quantum Monte Carlo Calculations.

Xu J, Deible MJ, Peterson KA, Jordan KD.

J Chem Theory Comput. 2013 May 14;9(5):2170-8. doi: 10.1021/ct300983b. Epub 2013 Apr 2.

PMID:
26583711
44.

Existence of a Correlation Bound s-Type Anion State of C60.

Voora VK, Cederbaum LS, Jordan KD.

J Phys Chem Lett. 2013 Mar 21;4(6):849-53. doi: 10.1021/jz400195s. Epub 2013 Mar 1.

PMID:
26291345
45.

Water Chain Formation on TiO2(110).

Lee J, Sorescu DC, Deng X, Jordan KD.

J Phys Chem Lett. 2013 Jan 3;4(1):53-7. doi: 10.1021/jz301727n. Epub 2012 Dec 14.

PMID:
26291211
46.

Mass spectrometric analysis of oxidized eicosapentaenoic Acid sodium salt.

Jordan KD, Upmacis RK.

Lipid Insights. 2013 May 6;6:21-35. doi: 10.4137/LPI.S10862. eCollection 2013.

47.

A self-consistent polarization potential model for describing excess electrons interacting with water clusters.

Voora VK, Ding J, Sommerfeld T, Jordan KD.

J Phys Chem B. 2013 Apr 25;117(16):4365-70. doi: 10.1021/jp306940k. Epub 2012 Oct 3.

PMID:
22992137
48.

Coadsorption properties of CO2 and H2O on TiO2 rutile (110): a dispersion-corrected DFT study.

Sorescu DC, Lee J, Al-Saidi WA, Jordan KD.

J Chem Phys. 2012 Aug 21;137(7):074704. doi: 10.1063/1.4739088.

PMID:
22920134
49.

Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models.

Karalti O, Alfè D, Gillan MJ, Jordan KD.

Phys Chem Chem Phys. 2012 Jun 7;14(21):7846-53. doi: 10.1039/c2cp00015f. Epub 2012 Apr 26.

PMID:
22535216
50.

Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2-, with vibrational and photoelectron spectroscopies.

Gerardi HK, DeBlase AF, Leavitt CM, Su X, Jordan KD, McCoy AB, Johnson MA.

J Chem Phys. 2012 Apr 7;136(13):134318. doi: 10.1063/1.3693271.

PMID:
22482563

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