Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1′,3,3′-tetraethyl-5,5′,6,6′-tetrachloro- benzimidazolocarbocyanine iodide and its aggregate

Metin Aydin; Özge Dede; Daniel L. Akins

doi:10.1063/1.3535595

Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1′,3,3′-tetraethyl-5,5′,6,6′-tetrachloro- benzimidazolocarbocyanine iodide and its aggregate

The Journal of Chemical Physics ◽

10.1063/1.3535595 ◽

2011 ◽

Vol 134 (6) ◽

pp. 064325 ◽

Cited By ~ 10

Author(s):

Metin Aydin ◽

Özge Dede ◽

Daniel L. Akins

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Vibrational Mode ◽

Mode Analysis ◽

Functional Theory

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Theoretical studies on the CF3Br+O (3P, 1D) reaction mechanism based on density functional theory and vibrational mode analysis

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2003.11.037 ◽

2004 ◽

Vol 673 (1-3) ◽

pp. 43-49 ◽

Cited By ~ 3

Author(s):

Xueli Cheng ◽

Yanyun Zhao ◽

Zhengyu Zhou

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Density Functional ◽

Vibrational Mode ◽

Mode Analysis ◽

Theoretical Studies ◽

Functional Theory

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Vibrational mode analysis of isomorphous hydrogen-bonded guanidinium sulfonates with inelastic neutron scattering and density-functional theory

The Journal of Chemical Physics ◽

10.1063/1.1381530 ◽

2001 ◽

Vol 115 (4) ◽

pp. 1909-1915 ◽

Cited By ~ 3

Author(s):

A. M. Pivovar ◽

M. D. Ward ◽

T. Yildirim ◽

D. A. Neumann

Keyword(s):

Density Functional Theory ◽

Neutron Scattering ◽

Density Functional ◽

Inelastic Neutron Scattering ◽

Vibrational Mode ◽

Inelastic Neutron ◽

Mode Analysis ◽

Functional Theory ◽

Hydrogen Bonded

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Reaction mechanism for the F+CH2CO reaction system based on density functional theory and vibrational mode analysis

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(03)00416-0 ◽

2003 ◽

Vol 638 (1-3) ◽

pp. 27-35 ◽

Cited By ~ 10

Author(s):

Xueli Cheng ◽

Yanyun Zhao ◽

Xinming Zhou ◽

Zhengyu Zhou

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Density Functional ◽

Vibrational Mode ◽

Reaction System ◽

Mode Analysis ◽

Functional Theory

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Structural elucidation of Levofloxacin and Ciprofloxacin using density functional theory and Raman spectroscopy with inexpensive lab-built setup

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128946 ◽

2020 ◽

Vol 1222 ◽

pp. 128946

Author(s):

Rajeev K. Sinha ◽

Partha Biswas

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Structural Elucidation ◽

Functional Theory

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Vibrational study of lead bromide perovskite materials with variable cations based on Raman spectroscopy and density functional theory

Journal of Raman Spectroscopy ◽

10.1002/jrs.6141 ◽

2021 ◽

Author(s):

Supriya Ghosh ◽

Debkumar Rana ◽

Bapi Pradhan ◽

Patrice Donfack ◽

Johan Hofkens ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Perovskite Materials ◽

Vibrational Study ◽

Lead Bromide

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Excited state structural dynamics and Herzberg–Teller coupling of tetraphenylporphine explored via resonance Raman spectroscopy and density functional theory calculation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.10.054 ◽

2010 ◽

Vol 75 (5) ◽

pp. 1381-1387 ◽

Cited By ~ 6

Author(s):

Jun Xu ◽

Junmin Wan ◽

Yanying Zhao ◽

Miaoqiang Lv ◽

Xuming Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Functional Theory ◽

Theory Calculation

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Surface enhanced Raman spectroscopy (SERS) and density functional theory (DFT) study for understanding the regioselective adsorption of pyrrolidinone on the surface of silver and gold colloids

Journal of Molecular Structure ◽

10.1016/j.molstruc.2009.06.039 ◽

2009 ◽

Vol 935 (1-3) ◽

pp. 32-38 ◽

Cited By ~ 41

Author(s):

Phumlane S. Mdluli ◽

Ndabenhle M. Sosibo ◽

Neerish Revaprasadu ◽

Panos Karamanis ◽

Jerzy Leszczynski

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Surface Enhanced Raman Spectroscopy ◽

Dft Study ◽

Functional Theory ◽

Gold Colloids ◽

Surface Enhanced ◽

Surface Enhanced Raman

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Application of Raman Spectroscopy, Surface-Enhanced Raman Scattering (SERS), and Density Functional Theory for the Identification of Phenethylamines

Applied Spectroscopy ◽

10.1366/13-06990 ◽

2013 ◽

Vol 67 (10) ◽

pp. 1150-1159 ◽

Cited By ~ 19

Author(s):

Francis Taplin ◽

Deanna O'Donnell ◽

Thomas Kubic ◽

Marco Leona ◽

John Lombardi

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Raman Scattering ◽

Density Functional ◽

Surface Enhanced Raman Scattering ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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Understanding excited-state structure in metal polypyridyl complexes using resonance Raman excitation profiles, time-resolved resonance Raman spectroscopy and density functional theory

Coordination Chemistry Reviews ◽

10.1016/j.ccr.2009.11.015 ◽

2010 ◽

Vol 254 (21-22) ◽

pp. 2505-2518 ◽

Cited By ~ 53

Author(s):

Raphael Horvath ◽

Keith C. Gordon

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Excited State ◽

Density Functional ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

State Structure ◽

Functional Theory ◽

Polypyridyl Complexes ◽

Time Resolved

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Raman, Infrared, and Surface-Enhanced Raman Spectroscopy in Combination with ab Initio and Density Functional Theory Calculations on 10-Isopropyl-10H-phenothiazine-5-oxide

The Journal of Physical Chemistry A ◽

10.1021/jp021731j ◽

2003 ◽

Vol 107 (11) ◽

pp. 1811-1818 ◽

Cited By ~ 35

Author(s):

M. Bolboaca ◽

T. Iliescu ◽

Cs. Paizs ◽

F. D. Irimie ◽

W. Kiefer

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Ab Initio ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Surface Enhanced Raman Spectroscopy ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman

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