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4,576 Newest Publications in chemical physics letters

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Interactions between nitrogen and oxygen molecules studied by gas-phase NMR spectroscopy

15-Apr-2018 | Author(s): Piotr Garbacz, Maria Misiak, Karol Jackowski, Chemical Physics Letters, 2018

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Piotr Garbacz, Maria Misiak, Karol Jackowski Gas-phase 14N and 15N NMR studies of nitrogen and synthetic air pressurized up to 300 bar were performed. It was found that the magnetic shielding of an ...

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Energy-switching potential energy surface for ground-state C3

15-Apr-2018 | Author(s): C.M.R. Rocha, A.J.C. Varandas, Chemical Physics Letters, 2018

Publication date: 16 May 2018 Source:Chemical Physics Letters, Volume 700 Author(s): C.M.R. Rocha, A.J.C. Varandas The multiple energy switching scheme [J. Chem. Phys. 119 (2003) 2596] has been used to improve the double many-body expansion (DMBE II) potential energy surface of C ...

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Configurational coupled cluster approach with applications to magnetic model systems

15-Apr-2018 | Author(s): Siyuan Wu, Marcel Nooijen, Chemical Physics Letters, 2018

Publication date: 16 May 2018 Source:Chemical Physics Letters, Volume 700 Author(s): Siyuan Wu, Marcel Nooijen A general exponential, coupled cluster like, approach is discussed to extract an effective Hamiltonian in configurational space, as a sum of 1-body, 2-body up to n-body ...

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Enhancement of acid treated g-C3N4Cu2O photocatalytic activity by PEG under visible light irradiation

15-Apr-2018 | Author(s): Shiyu Zuo, Haiming Xu, Wei Liao, Lei Sun, Qiang Li, Jie Zan, Binyang Zhang, Dongya Li, Do ..., Chemical Physics Letters, 2018

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Shiyu Zuo, Haiming Xu, Wei Liao, Lei Sun, Qiang Li, Jie Zan, Binyang Zhang, Dongya Li, Dongsheng Xia In this study, g-C3N4 Cu2O was successfully synthesized in the presence of PEG-400 ...

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Effect of electric field and temperature gradient on orientational dynamics of nematics encapsulated in a hallow cylindrical cavity

15-Apr-2018 | Author(s): A.V. Zakharov, P.V. Maslennikov, Chemical Physics Letters, 2018

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): A.V. Zakharov, P.V. Maslennikov We have considered a homogeneously oriented liquid crystal (HOLC) microvolume, confined between two infinitely long horizontal coaxial cylinders subjected to both a ...

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Adsorption of cyanogen chloride on the surface of boron nitride nanotubes for CNCl sensing

15-Apr-2018 | Author(s): Tayebeh Movlarooy, Mahboobeh Amiri Fadradi, Chemical Physics Letters, 2018

Publication date: 16 May 2018 Source:Chemical Physics Letters, Volume 700 Author(s): Tayebeh Movlarooy, Mahboobeh Amiri Fadradi The adsorption of CNCl gas, on the surface of boron nitride nanotubes in pure form, as well as doped with Al and Ga, based on the density functional theory ...

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Basis sets for the calculation of core-electron binding energies

15-Apr-2018 | Author(s): Magnus W.D. Hanson-Heine, Michael W. George, Nicholas A. Besley, Chemical Physics Letters, 2018

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Magnus W.D. Hanson-Heine, Michael W. George, Nicholas A. Besley Core-electron binding energies (CEBEs) computed within a Δ self-consistent field approach require large basis sets to achieve ...

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Broadband two-photon absorption cross sections of benzothiazole derivatives and benzobisthiazolium salts

15-Apr-2018 | Author(s): Eva Noskovičova, Dušan Lorenc, Peter Magdolen, Ivica Sigmundová, Pavol Zahradník, Dušan Velič, Chemical Physics Letters, 2018

Publication date: 16 May 2018 Source:Chemical Physics Letters, Volume 700 Author(s): Eva Noskovičova, Dušan Lorenc, Peter Magdolen, Ivica Sigmundová, Pavol Zahradník, Dušan Velič Two-photon absorption (TPA) cross sections of conjugated donor-π-acceptor dipolar structures ...

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D2+ Molecular complex in non-uniform height quantum ribbon under crossed electric and magnetic fields

15-Apr-2018 | Author(s): Y.A. Suaza, D. Laroze, M.R. Fulla, J.H. Marín, Chemical Physics Letters, 2018

Publication date: May 2018 Source:Chemical Physics Letters, Volume 699 Author(s): Y.A. Suaza, D. Laroze, M.R. Fulla, J.H. Marín The D 2 + molecular complex fundamental properties in a uniform and multi-hilled semiconductor quantum ribbon under orthogonal electric and magnetic ...

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Spectroscopic exploration of interaction between PEG-functionalized Ag2S nanoparticles with bovine serum albumin

15-Apr-2018 | Author(s): S. Prasanth, D. RitheshRaj, T.V. Vineeshkumar, C. Sudarsanakumar, Chemical Physics Letters, 2018

Publication date: 16 May 2018 Source:Chemical Physics Letters, Volume 700 Author(s): S. Prasanth, D. RitheshRaj, T.V. Vineeshkumar, C. Sudarsanakumar The introduction of nanoparticles into biological fluids often leads to the formation of biocorona over the surface of nanoparticles. ...

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