Search Results - "Harding ME"

High-Accuracy Extrapolated Ab Initio Thermochemistry of C3O, HC3O⁺, C3S, and HC3S^.

Authors: Kolter M Vázquez Quesada J Thorwirth S et al.

Source: The journal of physical chemistry. A [J Phys Chem A] 2026 Jul 09; Vol. 130 (27), pp. 5150-5161. Date of Electronic Publication: 2026 Jun 26.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: MEDLINE; PubMed not MEDLINE

On the Spectroscopy of Phosphaalkynes: Millimeter- and Submillimeter-Wave Study of C2H5CP.

Authors: Bonah L Schlemmer S Guillemin JC et al.

Source: The journal of physical chemistry. A [J Phys Chem A] 2024 Jun 20; Vol. 128 (24), pp. 4859-4866. Date of Electronic Publication: 2024 Jun 10.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: MEDLINE; PubMed not MEDLINE

Frequency-comb spectroscopy on pure quantum states of a single molecular ion.

Authors: Chou CW Collopy AL Kurz C et al.

Source: Science (New York, N.Y.) [Science] 2020 Mar 27; Vol. 367 (6485), pp. 1458-1461.

Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, Non-U.S. Gov't

Journal Info: Publisher: American Association for the Advancement of Science Country of Publication: United States NLM ID: 0404511 Publication Model: Print Cited Medium: Internet ISSN: 1095-9203 (Electronic) Linking ISSN: 00368075 NLM ISO Abbreviation: Science Subsets: MEDLINE; PubMed not MEDLINE

One Pipeline and Two Impact Assessments: Coproduction, Legal Pluralism, and the Trans Mountain Expansion Project.

Authors: Stewart IG Harding ME

Source: Science, technology & human values [Sci Technol Human Values] 2023 May; Vol. 48 (3), pp. 525-551. Date of Electronic Publication: 2021 Dec 27.

Publication Type: Journal Article

Journal Info: Publisher: MIT Press Country of Publication: United States NLM ID: 9440757 Publication Model: Print-Electronic Cited Medium: Print ISSN: 0162-2439 (Print) Linking ISSN: 01622439 NLM ISO Abbreviation: Sci Technol Human Values Subsets: PubMed not MEDLINE

Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and projector augmented-wave methods.

Authors: Humer M Harding ME Schlipf M et al.

Source: The Journal of chemical physics [J Chem Phys] 2022 Nov 21; Vol. 157 (19), pp. 194113.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

A litmus test for the balanced description of dispersion interactions and coordination chemistry of lanthanoids.

Authors: Quesada JV Chmela J Greisch JF et al.

Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2022 Oct 27; Vol. 24 (41), pp. 25106-25117. Date of Electronic Publication: 2022 Oct 27.

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

The He-H3 ⁺ complex. I. Vibration-rotation-tunneling states and transition probabilities.

Authors: Harding ME Lipparini F Gauss J et al.

Source: The Journal of chemical physics [J Chem Phys] 2022 Apr 14; Vol. 156 (14), pp. 144307.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

The He-H3 ⁺ complex. II. Infrared predissociation spectrum and energy term diagram.

Authors: Salomon T Brackertz S Asvany O et al.

Source: The Journal of chemical physics [J Chem Phys] 2022 Apr 14; Vol. 156 (14), pp. 144308.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

Hyperfine-Resolved Near-Infrared Spectra of H2¹⁷O.

Authors: Melosso M Diouf ML Bizzocchi L et al.

Source: The journal of physical chemistry. A [J Phys Chem A] 2021 Sep 16; Vol. 125 (36), pp. 7884-7890. Date of Electronic Publication: 2021 Sep 02.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: MEDLINE; PubMed not MEDLINE

Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes.

Authors: Chmela J Harding ME Matioszek D et al.

Source: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2016 Jan 04; Vol. 17 (1), pp. 37-45. Date of Electronic Publication: 2015 Oct 30.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 100954211 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1439-7641 (Electronic) Linking ISSN: 14394235 NLM ISO Abbreviation: Chemphyschem Subsets: PubMed not MEDLINE

Benchmarking the lithium-thiophene complex.

Authors: Harding ME Klopper W

Source: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2013 Mar 18; Vol. 14 (4), pp. 708-15. Date of Electronic Publication: 2012 Dec 06.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 100954211 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1439-7641 (Electronic) Linking ISSN: 14394235 NLM ISO Abbreviation: Chemphyschem Subsets: MEDLINE

Transvenous dual site left ventricular pacing to lower elevated pacing thresholds.

Authors: Harding ME Palma EC

Source: Pacing and clinical electrophysiology : PACE [Pacing Clin Electrophysiol] 2011 Jan; Vol. 34 (1), pp. e6-8.

Publication Type: Case Reports; Journal Article

Journal Info: Publisher: Futura Pub. Co Country of Publication: United States NLM ID: 7803944 Publication Model: Print Cited Medium: Internet ISSN: 1540-8159 (Electronic) Linking ISSN: 01478389 NLM ISO Abbreviation: Pacing Clin Electrophysiol Subsets: MEDLINE

Coupled-cluster techniques for computational chemistry: The CFOUR program package.

Authors: Matthews DA Cheng L Harding ME et al.

Source: The Journal of chemical physics [J Chem Phys] 2020 Jun 07; Vol. 152 (21), pp. 214108.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.

Authors: Balasubramani SG Chen GP Coriani S et al.

Source: The Journal of chemical physics [J Chem Phys] 2020 May 14; Vol. 152 (18), pp. 184107.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

The first microsolvation step for furans: New experiments and benchmarking strategies.

Authors: Gottschalk HC Poblotzki A Fatima M et al.

Source: The Journal of chemical physics [J Chem Phys] 2020 Apr 30; Vol. 152 (16), pp. 164303.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE

Understanding UV-Vis Spectra of Halogenated Tetraazaperopyrenes (TAPPs): A Computational Study.

Authors: Höfener S Günther BAR Harding ME et al.

Source: The journal of physical chemistry. A [J Phys Chem A] 2019 Apr 11; Vol. 123 (14), pp. 3160-3169. Date of Electronic Publication: 2019 Mar 29.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE

Bethe-Salpeter correlation energies of atoms and molecules.

Authors: Holzer C Gui X Harding ME et al.

Source: The Journal of chemical physics [J Chem Phys] 2018 Oct 14; Vol. 149 (14), pp. 144106.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE

A highly flexible molecule: The peculiar case of ethynyl isothiocyanate HCCNCS.

Authors: Sun W Davis RL Thorwirth S et al.

Source: The Journal of chemical physics [J Chem Phys] 2018 Sep 14; Vol. 149 (10), pp. 104304.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE

Vibronic Coupling Analysis of the Ligand-Centered Phosphorescence of Gas-Phase Gd(III) and Lu(III) 9-Oxophenalen-1-one Complexes.

Authors: Chmela J Greisch JF Harding ME et al.

Source: The journal of physical chemistry. A [J Phys Chem A] 2018 Mar 08; Vol. 122 (9), pp. 2461-2467. Date of Electronic Publication: 2018 Feb 23.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE

The furan microsolvation blind challenge for quantum chemical methods: First steps.

Authors: Gottschalk HC Poblotzki A Suhm MA et al.

Source: The Journal of chemical physics [J Chem Phys] 2018 Jan 07; Vol. 148 (1), pp. 014301.

Publication Type: Journal Article

Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE