Search Results - "Benoit DM"

Molecular mobility of extraterrestrial ices: surface diffusion in astrochemistry and planetary science.

Authors: Ligterink NFW Walsh C Cuppen HM et al.

Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2025 Sep 24; Vol. 27 (37), pp. 19630-19641. Date of Electronic Publication: 2025 Sep 24.

Publication Type: Journal Article; Review

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

Encoder-decoder convolutional neural network for simple CT segmentation of COVID-19 infected lungs.

Authors: Newson KS Benoit DM Beavis AW

Source: PeerJ. Computer science [PeerJ Comput Sci] 2024 Jul 23; Vol. 10, pp. e2178. Date of Electronic Publication: 2024 Jul 23 (Print Publication: 2024).

Publication Type: Journal Article

Journal Info: Publisher: PeerJ Inc Country of Publication: United States NLM ID: 101660598 Publication Model: eCollection Cited Medium: Internet ISSN: 2376-5992 (Electronic) Linking ISSN: 23765992 NLM ISO Abbreviation: PeerJ Comput Sci Subsets: PubMed not MEDLINE

Short- and Medium-Term Exposure to Ocean Acidification Reduces Olfactory Sensitivity in Gilthead Seabream.

Authors: Velez Z Roggatz CC Benoit DM et al.

Source: Frontiers in physiology [Front Physiol] 2019 Jul 03; Vol. 10, pp. 731. Date of Electronic Publication: 2019 Jul 03 (Print Publication: 2019).

Publication Type: Journal Article

Journal Info: Publisher: Frontiers Research Foundation Country of Publication: Switzerland NLM ID: 101549006 Publication Model: eCollection Cited Medium: Print ISSN: 1664-042X (Print) Linking ISSN: 1664042X NLM ISO Abbreviation: Front Physiol Subsets: PubMed not MEDLINE

Bn2DT3A, a Chelator for ⁶⁸Ga Positron Emission Tomography: Hydroxide Coordination Increases Biological Stability of [⁶⁸Ga][Ga(Bn2DT3A)(OH)]^.

Authors: Price TW Renard I Prior TJ et al.

Source: Inorganic chemistry [Inorg Chem] 2022 Oct 31; Vol. 61 (43), pp. 17059-17067. Date of Electronic Publication: 2022 Oct 17.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem Subsets: MEDLINE

Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.

Authors: Chen A Benoit DM Scribano Y et al.

Source: Journal of chemical theory and computation [J Chem Theory Comput] 2022 Jul 12; Vol. 18 (7), pp. 4366-4372. Date of Electronic Publication: 2022 May 18.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE

Utilisation of CO2 as "Structure Modifier" of Inorganic Solids.

Authors: Bennett MJ Dobson I Benoit DM et al.

Source: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2022 Jan 27; Vol. 28 (6), pp. e202103608. Date of Electronic Publication: 2021 Dec 21.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 9513783 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3765 (Electronic) Linking ISSN: 09476539 NLM ISO Abbreviation: Chemistry Subsets: MEDLINE; PubMed not MEDLINE

Ocean Acidification Amplifies the Olfactory Response to 2-Phenylethylamine: Altered Cue Reception as a Mechanistic Pathway?

Authors: Schirrmacher P Roggatz CC Benoit DM et al.

Source: Journal of chemical ecology [J Chem Ecol] 2021 Nov; Vol. 47 (10-11), pp. 859-876. Date of Electronic Publication: 2021 May 20.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: United States NLM ID: 7505563 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-1561 (Electronic) Linking ISSN: 00980331 NLM ISO Abbreviation: J Chem Ecol Subsets: 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

Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets.

Authors: Felker PM Lauvergnat D Scribano Y et al.

Source: The Journal of chemical physics [J Chem Phys] 2019 Sep 28; Vol. 151 (12), pp. 124311.

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 inhibitory subunit of cardiac troponin (cTnI) is modified by arginine methylation in the human heart.

Authors: Onwuli DO Samuel SF Sfyri P et al.

Source: International journal of cardiology [Int J Cardiol] 2019 May 01; Vol. 282, pp. 76-80. Date of Electronic Publication: 2019 Jan 31.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 8200291 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1874-1754 (Electronic) Linking ISSN: 01675273 NLM ISO Abbreviation: Int J Cardiol Subsets: MEDLINE

H2, HD, and D2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.

Authors: Lauvergnat D Felker P Scribano Y et al.

Source: The Journal of chemical physics [J Chem Phys] 2019 Apr 21; Vol. 150 (15), pp. 154303.

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

Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?

Authors: Benoit DM Lauvergnat D Scribano Y

Source: Faraday discussions [Faraday Discuss] 2018 Dec 13; Vol. 212 (0), pp. 533-546.

Publication Type: Journal Article

Journal Info: Publisher: Faraday Division, Royal Society of Chemistry Country of Publication: England NLM ID: 9212301 Publication Model: Print Cited Medium: Internet ISSN: 1364-5498 (Electronic) Linking ISSN: 13596640 NLM ISO Abbreviation: Faraday Discuss Subsets: PubMed not MEDLINE

Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules.

Authors: Roggatz CC Lorch M Benoit DM

Source: Journal of chemical theory and computation [J Chem Theory Comput] 2018 May 08; Vol. 14 (5), pp. 2684-2695. Date of Electronic Publication: 2018 Apr 02.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE

The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates.

Authors: Powers A Scribano Y Lauvergnat D et al.

Source: The Journal of chemical physics [J Chem Phys] 2018 Apr 14; Vol. 148 (14), pp. 144304.

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

23-Electron Octahedral Molybdenum Cluster Complex [{Mo6I8}Cl6]^.

Authors: Vorotnikova NA Vorotnikov YA Novozhilov IN et al.

Source: Inorganic chemistry [Inorg Chem] 2018 Jan 16; Vol. 57 (2), pp. 811-820. Date of Electronic Publication: 2017 Dec 22.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem 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

Periodic Dispersion-Corrected Approach for Isolation Spectroscopy of N2 in an Argon Environment: Clusters, Surfaces, and Matrices.

Authors: Makina Y Mahjoubi K Benoit DM et al.

Source: The journal of physical chemistry. A [J Phys Chem A] 2017 Jun 01; Vol. 121 (21), pp. 4093-4102. Date of Electronic Publication: 2017 May 18.

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

Amine Catalysis for the Organocatalytic Diboration of Challenging Alkenes.

Authors: Farre A Soares K Briggs RA et al.

Source: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2016 Dec 05; Vol. 22 (49), pp. 17552-17556. Date of Electronic Publication: 2016 Oct 26.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 9513783 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3765 (Electronic) Linking ISSN: 09476539 NLM ISO Abbreviation: Chemistry Subsets: PubMed not MEDLINE

Ocean acidification affects marine chemical communication by changing structure and function of peptide signalling molecules.

Authors: Roggatz CC Lorch M Hardege JD et al.

Source: Global change biology [Glob Chang Biol] 2016 Dec; Vol. 22 (12), pp. 3914-3926. Date of Electronic Publication: 2016 Jun 29.

Publication Type: Journal Article

Journal Info: Publisher: Blackwell Pub Country of Publication: England NLM ID: 9888746 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1365-2486 (Electronic) Linking ISSN: 13541013 NLM ISO Abbreviation: Glob Chang Biol Subsets: MEDLINE

Octahedral molybdenum cluster complexes with aromatic sulfonate ligands.

Authors: Efremova OA Vorotnikov YA Brylev KA et al.

Source: Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2016 Oct 21; Vol. 45 (39), pp. 15427-15435. Date of Electronic Publication: 2016 Sep 07.

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101176026 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1477-9234 (Electronic) Linking ISSN: 14779226 NLM ISO Abbreviation: Dalton Trans Subsets: PubMed not MEDLINE