Investigation of Excited State Structural Dynamics of Bis(2-thienyl)ketone in the Condensed Phase Using Raman, IR, and UV−visible Spectroscopy Aided by Density Functional Theory Calculation

Excited State ◽

Structural Dynamics ◽

Condensed Phase ◽

Density Functional ◽

Visible Spectroscopy ◽

Functional Theory ◽

Uv Visible ◽

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):

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Resonance Raman ◽

Functional Theory ◽

Vibrational dynamics and structural investigation of 2,2′-dipyridylketone using Raman, IR and UV-visible spectroscopy aided byab initioand density functional theory calculation

The Journal of Chemical Physics ◽

10.1063/1.2888559 ◽

2008 ◽

Vol 128 (14) ◽

pp. 144507 ◽

Cited By ~ 12

Author(s):

Pinaky Sett ◽

Tumpa Mishra ◽

Joydeep Chowdhury ◽

Manas Ghosh ◽

Subrato Chattopadhyay ◽

...

Keyword(s):

Density Functional ◽

Structural Investigation ◽

Visible Spectroscopy ◽

Functional Theory ◽

Vibrational Dynamics ◽

Uv Visible ◽

Excited-state structural dynamics and vibronic coupling of 1,3-dithiole-2-thione-resonance Raman spectroscopy and density functional theory calculation study

Journal of Raman Spectroscopy ◽

10.1002/jrs.2216 ◽

2009 ◽

Vol 40 (8) ◽

pp. 992-997 ◽

Cited By ~ 11

Author(s):

Huigang Wang ◽

Bo Liu ◽

Junmin Wan ◽

Jun Xu ◽

Xuming Zheng

Keyword(s):

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Vibronic Coupling ◽

Functional Theory ◽

Excited State Structural Dynamics of Tetra(4-aminophenyl)porphine in the Condensed Phase: Resonance Raman Spectroscopy and Density Functional Theory Calculation Study

The Journal of Physical Chemistry B ◽

10.1021/jp1000978 ◽

2010 ◽

Vol 114 (10) ◽

pp. 3623-3632 ◽

Cited By ~ 16

Author(s):

Huigang Wang ◽

Jun Xu ◽

Junmin Wan ◽

Yanying Zhao ◽

Xuming Zheng

Keyword(s):

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Functional Theory ◽

Theory Calculation ◽

Phase Resonance

Short-time photodecay dynamics of meso-tetra(p-hydroxyphenyl)porphine in the condensed phase explored via resonance Raman spectroscopy and density functional theory calculation

Journal of Raman Spectroscopy ◽

10.1002/jrs.2772 ◽

2010 ◽

Vol 42 (4) ◽

pp. 749-757 ◽

Cited By ~ 8

Author(s):

Zhangzhu Wu ◽

Jun Xu ◽

Junmin Wan ◽

Xuming Zheng ◽

Huigang Wang ◽

...

Keyword(s):

Raman Spectroscopy ◽

Condensed Phase ◽

Density Functional ◽

Resonance Raman ◽

Functional Theory ◽

Short Time ◽

Short-Time Photodecay Dynamics of Meso-Tetra(p-hydroxyphenyl)porphine in the Condensed Phase Explored via Resonance Raman Spectroscopy and Density Functional Theory Calculation

10.1063/1.3482883 ◽

2010 ◽

Author(s):

Zhangzhu Wu ◽

Junmin Wan ◽

Jun Xu ◽

Xuming Zheng ◽

Huigang Wang ◽

...

Keyword(s):

Raman Spectroscopy ◽

Condensed Phase ◽

Density Functional ◽

Resonance Raman ◽

Functional Theory ◽

Short Time ◽

Photodecay dynamics of octaethylporphine in the condensed phase explored via resonance Raman spectroscopy and density functional theory calculation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.01.020 ◽

2011 ◽

Vol 78 (5) ◽

pp. 1416-1423 ◽

Cited By ~ 4

Author(s):

Jiupeng yin ◽

Junmin Wan ◽

Jun Xu ◽

Huigang Wang ◽

Xuming Zheng

Keyword(s):

Raman Spectroscopy ◽

Condensed Phase ◽

Density Functional ◽

Resonance Raman ◽

Functional Theory ◽

Excited State Charge Transfer reaction with dual emission from 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile: Spectral measurement and theoretical density functional theory calculation

Journal of Molecular Structure ◽

10.1016/j.molstruc.2011.05.022 ◽

2011 ◽

Vol 998 (1-3) ◽

pp. 136-143 ◽

Cited By ~ 17

Author(s):

Sankar Jana ◽

Sasanka Dalapati ◽

Shalini Ghosh ◽

Samiran Kar ◽

Nikhil Guchhait

Keyword(s):

Excited State ◽

Density Functional ◽

Transfer Reaction ◽

Charge Transfer Reaction ◽

Dual Emission ◽

Functional Theory ◽

Theory Calculation ◽

State Charge

Corrosion-induced microstructure degradation of copper in sulfide-containing simulated anoxic groundwater studied by synchrotron high-energy X-ray diffraction and ab-initio density functional theory calculation

Corrosion Science ◽

10.1016/j.corsci.2021.109390 ◽

2021 ◽

Vol 184 ◽

pp. 109390

Author(s):

Fan Zhang ◽

Cem Örnek ◽

Min Liu ◽

Timo Müller ◽

Ulrich Lienert ◽

...

Keyword(s):

Ab Initio ◽

Density Functional ◽

High Energy ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray ◽

Ordered boron phosphorus codoped graphene realizing widely tunable quasi Dirac-cone gap

Journal of Materials Chemistry C ◽

10.1039/d0tc04998k ◽

2021 ◽

Vol 9 (12) ◽

pp. 4316-4321

Author(s):

L.-B. Meng ◽

S. Ni ◽

Z. M. Zhang ◽

S. K. He ◽

W. M. Zhou

Keyword(s):

Density Functional ◽

Dirac Cone ◽

Functional Theory ◽

Density functional theory calculation predicts a novel ordered boron phosphorus codoped graphene realizing a widely tunable Dirac-cone gap.