نتائج البحث

On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations.

• Authors : Dinu, Dennis F.^1,2,3 (AUTHOR); Podewitz, Maren¹ (AUTHOR); Grothe, Hinrich² (AUTHOR)

• Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Dec2020, Vol. 139 Issue 12, p1-15. 15p.

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First-Principles Anharmonic Infrared and Raman Vibrational Spectra of Materials: Fermi Resonance in Dry Ice

• Authors : Davide Mitoli; Jefferson Maul; Alessandro Erba

Subjects: Biophysics; Medicine; Neuroscience

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Spectroscopic Identification of Diphosphene HPPH and Isomeric Diphosphinyldene PPH2.

• Authors : Lu, Bo¹ (AUTHOR); Wang, Lina¹ (AUTHOR); Jiang, Xin¹ (AUTHOR)

• Source: Angewandte Chemie. Mar2023, Vol. 135 Issue 10, p1-6. 6p.

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Infrared–vacuum ultraviolet spectroscopy of the CH stretching vibrations of jet‐cooled aromatic azine molecules and the anharmonic analysis.

• Authors : Feng, Jun‐Ying¹ (AUTHOR); Huang, Qian‐Rui² (AUTHOR); Nguyen, Ha‐Quyen^2,3 (AUTHOR)

• Source: Journal of the Chinese Chemical Society. Jan2022, Vol. 69 Issue 1, p160-172. 13p.

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Spectroscopic Identification of Diphosphene HPPH and Isomeric Diphosphinyldene PPH2.

• Authors : Lu, Bo¹ (AUTHOR); Wang, Lina¹ (AUTHOR); Jiang, Xin¹ (AUTHOR)

Subjects: *DOUBLE bonds; *DOUBLE standard; *DIPHOSPHINE

• Source: Angewandte Chemie. Mar2023, Vol. 135 Issue 10, p1-6. 6p.

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Spectroscopic Identification of Diphosphene HPPH and Isomeric Diphosphinyldene PPH2.

• Authors : Lu, Bo; Wang, Lina; Jiang, Xin

Subjects: DOUBLE bonds; CHEMICAL labeling; DOUBLE standard

• Source: Angewandte Chemie; Mar2023, Vol. 135 Issue 10, p1-6, 6p

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Selected Aspects Concerning the Efficient Calculation of Vibrational Spectra beyond the Harmonic Approximation.

• Authors : Oschetzki, Dominik¹; Neff, Michael¹; Meier, Patrick¹

• Source: Croatica Chemica Acta. Dec2012, Vol. 85 Issue 4, p380-390. 12p.

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Infrared spectra of water molecule encapsulated inside fullerene studied by instantaneous vibrational analysis.

• Authors : Yagi, Kiyoshi^1,2 (AUTHOR) yagi@qcl.t.u‐tokyo.ac.jp; Watanabe, Daichi¹ (AUTHOR)

• Source: International Journal of Quantum Chemistry. 2009, Vol. 109 Issue 10, p2080-2090. 11p. 2 Diagrams, 3 Charts, 5 Graphs.

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Quantum and classical vibrational relaxation dynamics of N-methylacetamide on ab initio potential energy surfaces.

• Authors : Fujisaki, Hiroshi¹ (AUTHOR) ; Yagi, Kiyoshi² (AUTHOR); Straub, John E.³ (AUTHOR)

• Source: International Journal of Quantum Chemistry. 2009, Vol. 109 Issue 10, p2047-2057. 11p. 6 Graphs.

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Calculating molecular vibrational spectra beyond the harmonic approximation.

• Authors : Lin, Ching Yeh¹; Gilbert, Andrew T. B.¹; Gill, Peter M. W.¹

• Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Jun2008, Vol. 120 Issue 1-3, p23-35. 13p. 1 Diagram, 4 Charts, 3 Graphs.

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