يعرض 1 - 20 نتائج من 5,667 نتيجة بحث عن '"Diatomic molecules"', وقت الاستعلام: 0.60s تنقيح النتائج
  1. 1
    Academic Journal
    Kohn–Sham inversion for open-shell systems.

    المؤلفون: Erhard, Jannis1 (AUTHOR), Trushin, Egor1,2 (AUTHOR), Görling, Andreas1,2 (AUTHOR) andreas.goerling@fau.de

    المصدر: Journal of Chemical Physics. 1/21/2025, Vol. 162 Issue 3, p1-24. 24p.

    مصطلحات موضوعية: *DIATOMIC molecules, *WAVE functions, *SYMMETRY, *ATOMS, *ELECTRONS


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  2. 2
    Academic Journal
    A high-resolution photoelectron spectroscopic and computational study of TaX− (X = C, N, O).

    المؤلفون: Chen, Xiaolin1 (AUTHOR) chenxl13@zafu.edu.cn, Yan, Shuaiting2 (AUTHOR), Zhang, Rui2 (AUTHOR), Ning, Chuangang2 (AUTHOR) ningcg@tsinghua.edu.cn

    المصدر: Journal of Chemical Physics. 11/21/2024, Vol. 161 Issue 19, p1-8. 8p.

    مصطلحات موضوعية: *DIATOMIC molecules, *ELECTRON affinity, *PHOTOELECTRON spectroscopy, *PHOTOELECTRON spectra, *EXCITED states


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  3. 3
    Academic Journal
    Ab initio spectroscopy and thermochemistry of the platinum hydride ions, PtH+ and PtH−.

    المؤلفون: Irikura, Karl K.1 (AUTHOR) karl.irikura@nist.gov

    المصدر: Journal of Chemical Physics. 5/14/2024, Vol. 160 Issue 18, p1-16. 16p.

    مصطلحات موضوعية: *THERMOCHEMISTRY, *DIATOMIC molecules, *ELECTRON affinity, *THERMODYNAMIC functions, *PHOTODETACHMENT threshold spectroscopy, *IONS, *SPIN-orbit interactions


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  4. 4
    Academic Journal
    HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra- and inter-molecular bases.

    المؤلفون: Simkó, Irén1,2 (AUTHOR) is2873@nyu.edu, Felker, Peter M.3 (AUTHOR) felker@chem.ucla.edu, Bačić, Zlatko1,2,4 (AUTHOR) zlatko.bacic@nyu.edu

    المصدر: Journal of Chemical Physics. 4/28/2024, Vol. 160 Issue 16, p1-17. 17p.

    مصطلحات موضوعية: *POTENTIAL energy surfaces, *DIATOMIC molecules, *VIBRATIONAL spectra, *BINDING energy


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  5. 5
    Academic Journal
    Bond dissociation energy of N2 measured by state-to-state resolved threshold fragment yield spectra.

    المؤلفون: Wang, Peng1 (AUTHOR), Gong, Shiyan1 (AUTHOR), Li, Yixuan1 (AUTHOR), Mo, Yuxiang1 (AUTHOR) ymo@mail.tsinghua.edu.cn

    المصدر: Journal of Chemical Physics. 1/7/2024, Vol. 160 Issue 1, p1-6. 6p.

    مصطلحات موضوعية: *NITROGEN, *DIATOMIC molecules, *ULTRAVIOLET lasers, *THERMOCHEMISTRY, *DATABASES, *PHOTODISSOCIATION


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  6. 6
    Academic Journal
    Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations.

    المؤلفون: Lu, Yanzhao1 (AUTHOR), Wang, Zhifan2 (AUTHOR) wangf44@gmail.com, Wang, Fan1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 12/28/2023, Vol. 159 Issue 24, p1-13. 13p.

    مصطلحات موضوعية: *SUPERHEAVY elements, *DIATOMIC molecules, *HEAVY elements, *SPIN-orbit interactions, *PSEUDOPOTENTIAL method, *DENSITY functional theory, *CHEMICAL bond lengths

    مصطلحات جغرافية: COLOGNE (Germany), STUTTGART (Germany)


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  7. 7
    Academic Journal
    A Method for the Precise Determination of the Intramolecular Potential Energy Surface on the Basis of Microwave and Submillimeter-Wave Spectra: Diatomic Molecules as a Relevant Illustration.

    المؤلفون: Ulenikov, Oleg1 (AUTHOR) ulenikov@mail.ru, Bekhtereva, Elena1 (AUTHOR), Gromova, Olga1 (AUTHOR), Sidko, Sergei1 (AUTHOR), Bauerecker, Sigurd2 (AUTHOR) s.bauerecker@tu-bs.de

    المصدر: International Journal of Molecular Sciences. Jan2025, Vol. 26 Issue 2, p658. 12p.

    مصطلحات موضوعية: *POTENTIAL energy surfaces, *DIATOMIC molecules, *MOLECULAR spectra, *MICROWAVES, *MOLECULES

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  8. 8
    Academic Journal
    Improved energy equations and thermal functions for diatomic molecules: a generalized fractional derivative approach.

    المؤلفون: Eyube, E. S.1 (AUTHOR) edwineyubes@mau.edu.ng, Makasson, C. R.2 (AUTHOR) clandraphaelmakasson@adamawapoly.edu.ng, Omugbe, E.3 (AUTHOR) omugbeekwevugbe@gmail.com, Onate, C. A.4 (AUTHOR) clement.onate@bowen.edu.ng, Inyang, E. P.5 (AUTHOR) etidophysics@gmail.com, Tahir, A. M.2 (AUTHOR) ahmadslt4@adamawapoly.edu.ng, Ojar, J. U.6 (AUTHOR) ojarjohn@gmail.com, Najoji, S. D.7 (AUTHOR) najojis@gmail.com

    المصدر: Journal of Molecular Modeling. Dec2024, Vol. 30 Issue 12, p1-18. 18p.

    مصطلحات موضوعية: *HELMHOLTZ free energy, *DIATOMIC molecules, *MATERIALS science, *THERMODYNAMIC functions, *SCHRODINGER equation


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  9. 9
    Academic Journal
    Solution of Schrödinger Equation for Simple Diatomic Molecules Using One‐Parameter 1s Slater‐Type Orbitals Wave Function.

    المؤلفون: Riyanto, Fiqri Aditya1 (AUTHOR), Jaelani, Achmad1,2 (AUTHOR), Prayitno, Teguh Budi3 (AUTHOR), Hanna, Muhammad Yusrul1 (AUTHOR), Sarwono, Yanoar P.1 (AUTHOR) yano001@brin.go.id

    المصدر: International Journal of Quantum Chemistry. 11/15/2024, Vol. 124 Issue 22, p1-10. 10p.

    مصطلحات موضوعية: *HETERONUCLEAR diatomic molecules, *SCHRODINGER equation, *WAVE functions, *MOLECULAR orbitals, *CHEMICAL bond lengths, *DIATOMIC molecules


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  10. 10
    Academic Journal
    HF trimer: 12D fully coupled quantum calculations of HF-stretch excited intramolecular and intermolecular vibrational states using contracted bases of intramolecular and intermolecular eigenstates.

    المؤلفون: Felker, Peter M.1 (AUTHOR), Bačić, Zlatko2,3,4 (AUTHOR) felker@chem.ucla.edu

    المصدر: Journal of Chemical Physics. 6/21/2023, Vol. 158 Issue 23, p1-17. 17p.

    مصطلحات موضوعية: *POTENTIAL energy surfaces, *DIATOMIC molecules, *STRETCH (Physiology), *HYDROGEN bonding, *DEGREES of freedom


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  11. 11
    Academic Journal
    Dirac particles with screened Kratzer–Hulthen plus ring-shaped potential in noncompact extra dimensions.

    المؤلفون: Likéné, A. Atangana1,2 (AUTHOR) aandreaime@yahoo.fr, Ema'a Ema'a, J. M.3 (AUTHOR) emaaejm@yahoo.fr, Abiama, P. Ele1,2 (AUTHOR) eleabiama2003@yahoo.fr, Ben-Bolie, G. H.1 (AUTHOR) gbenbolie@yahoo.fr

    المصدر: International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics. 11/10/2024, Vol. 38 Issue 28, p1-16. 16p.

    مصطلحات موضوعية: *QUANTUM numbers, *DIATOMIC molecules, *LITHIUM hydride, *HYDROGEN chloride, *RELIABILITY in engineering


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  12. 12
    Academic Journal
    Composites from Self‐Assembled Protein Nanofibrils and Liquid Metal Gallium.

    المؤلفون: Liu, Li1,2 (AUTHOR), Rahim, Md. Arifur1,2,3 (AUTHOR), Li, Tianchen1 (AUTHOR), Kilani, Mohamed2 (AUTHOR), He, Yilin4 (AUTHOR), Shao, Zeyu2 (AUTHOR), Zheng, Jiewei2 (AUTHOR), Wang, Chen1 (AUTHOR), Baharfar, Mahroo2 (AUTHOR), Chiu, Shih‐Hao1,2 (AUTHOR), Ireland, Jake2 (AUTHOR), Sorenson, Timothy L.1 (AUTHOR), Rawal, Aditya5 (AUTHOR), Mousavi, Maedehsadat2 (AUTHOR), Ghasemian, Mohammad B.1,2 (AUTHOR), Zhang, Chengchen6 (AUTHOR), Tang, Jianbo2 (AUTHOR), Wong, Edgar H. H.2 (AUTHOR), Zhang, Jin4 (AUTHOR), Allioux, Francois‐Marie1,2 (AUTHOR) f.allioux@sydney.edu.au

    المصدر: Advanced Functional Materials. 11/5/2024, Vol. 34 Issue 45, p1-13. 13p.

    مصطلحات موضوعية: *DIATOMIC molecules, *CARBON monoxide detectors, *LIQUID metals, *PLANT proteins, *SOY proteins


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  13. 13
    Academic Journal
    Separating hydrogen isotopologues via kinetic quantum sieving: Understanding important pore characteristics for an efficient separation.

    المؤلفون: Mella, Massimo1 (AUTHOR) massimo.mella@uninsubria.it, Tagliabue, Andrea1,2 (AUTHOR)

    المصدر: International Journal of Hydrogen Energy. Sep2024, Vol. 81, p521-534. 14p.

    مصطلحات موضوعية: *GROUND state energy, *DIATOMIC molecules, *MEMBRANE separation, *MOLECULES, *SIEVES, *ISOTOPOLOGUES


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  14. 14
    Academic Journal
    Electron-impact ionization cross section of fusion-relevant diatomic molecules containing B.

    المؤلفون: Ma, Yuwei1 (AUTHOR), Song, Yunliang1 (AUTHOR), Li, Bowen1 (AUTHOR) libw@lzu.edu.cn

    المصدر: European Physical Journal D (EPJ D). Sep2024, Vol. 78 Issue 9, p1-7. 7p.

    مصطلحات موضوعية: *DIATOMIC molecules, *TUNGSTEN, *DUST, *MOLECULES, *BORON, *BERYLLIUM


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  15. 15
    Academic Journal
    Development of NOTCH, an all-electron, beyond-NDDO semiempirical method: Application to diatomic molecules.

    المؤلفون: Wang, Zikuan1 (AUTHOR), Neese, Frank1 (AUTHOR) neese@kofo.mpg.de

    المصدر: Journal of Chemical Physics. 5/14/2023, Vol. 158 Issue 18, p1-25. 25p.

    مصطلحات موضوعية: *DIATOMIC molecules, *ATOMIC charges, *IONIZATION energy, *ATOMIC orbitals, *ELECTRON affinity, *NATURAL orbitals


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  16. 16
    Academic Journal
    Dissociation dynamics of a diatomic molecule in an optical cavity.

    المؤلفون: Mondal, Subhadip1 (AUTHOR), Wang, Derek S.2 (AUTHOR), Keshavamurthy, Srihari1 (AUTHOR) srihari@iitk.ac.in

    المصدر: Journal of Chemical Physics. 12/28/2022, Vol. 157 Issue 24, p1-10. 10p.

    مصطلحات موضوعية: *OPTICAL resonators, *DIATOMIC molecules, *PHASE space, *PROBABILITY theory


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  17. 17
    Academic Journal
    Approximate solutions for diatomic molecules under combined potentials in a global monopole and Aharonov–Bohm flux field.

    المؤلفون: Nayek, Sujay Kumar1 (AUTHOR) sujay_nayek@yahoo.com, Dutta, Barnali1 (AUTHOR), Pradhan, Bhumika2 (AUTHOR)

    المصدر: International Journal of Quantum Chemistry. 8/5/2024, Vol. 124 Issue 15, p1-25. 25p.

    مصطلحات موضوعية: *DIATOMIC molecules, *ENERGY levels (Quantum mechanics), *MINKOWSKI space, *SCHRODINGER equation, *BOUND states


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  18. 18
    Academic Journal
    Enhanced conversion of CO2 into C2H4 on single atom Cu-anchored graphitic carbon nitride: Synergistic diatomic active sites interaction.

    المؤلفون: Yuan, Fufa1 (AUTHOR), Wang, Xin1 (AUTHOR), Ma, Tao1 (AUTHOR), Fan, Jianhua1 (AUTHOR), Lai, Xiaoyong1 (AUTHOR) xylai@nxu.edu.cn, Liu, Yingtao1 (AUTHOR) liuyt@nxu.edu.cn

    المصدر: Journal of Colloid & Interface Science. Aug2024, Vol. 667, p291-302. 12p.

    مصطلحات موضوعية: *DIATOMIC molecules, *GIBBS' free energy, *NITRIDES, *CARBON dioxide, *ATOMS, *COPPER, *CATALYTIC activity


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  19. 19
    Academic Journal
    Interaction of N2, O2 and H2 Molecules with Superalkalis.

    المؤلفون: Srivastava, Harshita1 (AUTHOR), Kumar Srivastava, Ambrish1 (AUTHOR) aks.ddugu@gmail.com, Misra, Neeraj2 (AUTHOR)

    المصدر: ChemistryOpen. Jul2024, Vol. 13 Issue 7, p1-6. 6p.

    مصطلحات موضوعية: *DIATOMIC molecules, *MOLECULES, *ELECTRON affinity, *IONIC interactions, *PERTURBATION theory, *IONIZATION energy

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  20. 20
    Academic Journal
    The influence of double deformation phase-space on the thermo-magnetic properties and energy spectra of some diatomic molecules and the spin-averaged mass spectra of the heavy mesons with the ICIQYHP model in 3D-NRNCPS symmetries.

    المؤلفون: Maireche, Abdelmadjid1 (AUTHOR) abdelmadjid.maireche@univ-msila.dz

    المصدر: International Journal of Geometric Methods in Modern Physics. Jun2024, Vol. 21 Issue 7, p1-41. 41p.

    مصطلحات موضوعية: *DIATOMIC molecules, *MASS spectrometry, *MOLECULAR physics, *MESONS, *PHASE space, *PERTURBATION theory, *SPIN-orbit interactions, *CHARMONIUM


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