Structure and Property Investigations of TDO in Aqueous Phase by Density Functional Theory, UV Absorption, and Raman Spectroscopy

Jianzhong Shao; Xiaoyun Liu; Pin Chen; Qiuxia Wu; Xuming Zheng; Kemei Pei

doi:10.1021/jp502375r

Structure and Property Investigations of TDO in Aqueous Phase by Density Functional Theory, UV Absorption, and Raman Spectroscopy

The Journal of Physical Chemistry A ◽

10.1021/jp502375r ◽

2014 ◽

Vol 118 (17) ◽

pp. 3168-3174 ◽

Cited By ~ 10

Author(s):

Jianzhong Shao ◽

Xiaoyun Liu ◽

Pin Chen ◽

Qiuxia Wu ◽

Xuming Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Aqueous Phase ◽

Density Functional ◽

Uv Absorption ◽

Functional Theory ◽

Structure And Property

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

Stability and Raman Spectroscopy of Alkane Guest Molecules (CnHm, n≤6, m≤14) in 51262 and 51264 Water Cavities by Density Functional Theory Calculations

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201405292 ◽

2014 ◽

Vol 30 (8) ◽

pp. 1437-1446 ◽

Cited By ~ 4

Author(s):

CAO Xiao-Xiao ◽

◽

SU Yan ◽

ZHAO Ji-Jun ◽

LIU Chang-Ling ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Guest Molecules

Download Full-text

Dual Binding Configurations of Subphthalocyanine on Ag(100) Substrate Characterized by Scanning Tunneling Microscopy, Tip-Enhanced Raman Spectroscopy, and Density Functional Theory

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b12068 ◽

2018 ◽

Vol 122 (10) ◽

pp. 5489-5495 ◽

Cited By ~ 12

Author(s):

Philip J. Whiteman ◽

Jeremy F. Schultz ◽

Zachary D. Porach ◽

Hanning Chen ◽

Nan Jiang

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Scanning Tunneling Microscopy ◽

Density Functional ◽

Scanning Tunneling ◽

Tunneling Microscopy ◽

Functional Theory ◽

Tip Enhanced Raman Spectroscopy

Download Full-text

Density functional theory (DFT) calculations for Raman spectroscopy

Principles of Surface-Enhanced Raman Spectroscopy ◽

10.1016/b978-0-444-52779-0.00015-5 ◽

2009 ◽

pp. 465-490

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Dft Calculations ◽

Density Functional ◽

Functional Theory

Download Full-text