Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values

Ciro Achille Guido; Benedetta Mennucci; Giovanni Scalmani; Denis Jacquemin

doi:10.1021/acs.jctc.7b01230

Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b01230 ◽

2018 ◽

Vol 14 (3) ◽

pp. 1544-1553 ◽

Cited By ~ 21

Author(s):

Ciro Achille Guido ◽

Benedetta Mennucci ◽

Giovanni Scalmani ◽

Denis Jacquemin

Keyword(s):

Excited State ◽

Linear Response ◽

Dipole Moments ◽

Td Dft ◽

Excited State Dipole Moments

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Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c01228 ◽

2021 ◽

Vol 17 (2) ◽

pp. 1117-1132 ◽

Cited By ~ 1

Author(s):

Rudraditya Sarkar ◽

Martial Boggio-Pasqua ◽

Pierre-François Loos ◽

Denis Jacquemin

Keyword(s):

Wave Function ◽

Excited State ◽

Dipole Moments ◽

Oscillator Strengths ◽

Td Dft ◽

Excited State Dipole Moments

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Synthesis DFT/TD-DFT theoretical studies and experimental solvatochromic shift methods on determination of ground and excited state dipole moments of 3-(2-hydroxybenzoyl) coumarins

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.08.039 ◽

2019 ◽

Vol 1175 ◽

pp. 811-820 ◽

Cited By ~ 9

Author(s):

Nejla Khatir–Hamdi ◽

Malika Makhloufi-Chebli ◽

Hocine Grib ◽

Meziane Brahimi ◽

Artur M.S. Silva

Keyword(s):

Excited State ◽

Dipole Moments ◽

Theoretical Studies ◽

Solvatochromic Shift ◽

Td Dft ◽

Excited State Dipole Moments

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Erratum: Excited‐state dipole moments, polarizabilities, and local fields in molecular crystals; polarizabilities of benzophenone in its lowest singlet and triplet n π* excited states

The Journal of Chemical Physics ◽

10.1063/1.1679129 ◽

1973 ◽

Vol 58 (11) ◽

pp. 5192-5192 ◽

Cited By ~ 2

Author(s):

J. W. Barker ◽

L. J. Noe

Keyword(s):

Excited State ◽

Excited States ◽

Dipole Moments ◽

Molecular Crystals ◽

Local Fields ◽

Excited State Dipole Moments

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Study of the novel fluorescent 4-methyl-9-(3-oxobutanoyl)-2H,8H-pyrano[2,3-f]chromene-2,8-dione derivative. Estimation of the ground- and excited-state dipole moments from a solvatochromic shift

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.05.110 ◽

2017 ◽

Vol 1146 ◽

pp. 285-291 ◽

Cited By ~ 6

Author(s):

Ahmed Al-Kawkabani ◽

Malika Makhloufi-Chebli ◽

Nadjib Benosmane ◽

Baya Boutemeur-Kheddis ◽

Maamar Hamdi ◽

...

Keyword(s):

Excited State ◽

Dipole Moments ◽

The Novel ◽

Solvatochromic Shift ◽

Derivative Estimation ◽

Dione Derivative ◽

Excited State Dipole Moments

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Solvatochromic Study of Supramolecular Amphiphile Based on Calix[4]arene Connected to a Fluorescent Benzofurazan Moiety at Lower Rim: Evaluation of Ground and Excited State Dipole Moments

Optics and Spectroscopy ◽

10.1134/s0030400x20120929 ◽

2020 ◽

Vol 128 (12) ◽

pp. 1993-1999

Author(s):

S. Joshi

Keyword(s):

Excited State ◽

Dipole Moments ◽

Excited State Dipole Moments

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Estimation of ground state and excited state dipole moments of a novel Schiff base derivative containing 1, 2, 4-triazole nucleus by solvatochromic method

Journal of Molecular Liquids ◽

10.1016/j.molliq.2015.12.050 ◽

2016 ◽

Vol 215 ◽

pp. 387-395 ◽

Cited By ~ 20

Author(s):

Roshmy Alphonse ◽

Anitha Varghese ◽

Louis George ◽

Aatika Nizam

Keyword(s):

Schiff Base ◽

Excited State ◽

Ground State ◽

Dipole Moments ◽

Solvatochromic Method ◽

Base Derivative ◽

Excited State Dipole Moments

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Emerging ground and excited state dipole moments and external electric field effect on electronic structure. A solvatochromism and theoretical study on 2-((phenylimino)methyl)phenol derivatives

Journal of Molecular Liquids ◽

10.1016/j.molliq.2015.01.056 ◽

2015 ◽

Vol 206 ◽

pp. 56-67 ◽

Cited By ~ 15

Author(s):

İsa Sıdır ◽

Yadigar Gülseven Sıdır ◽

Halil Berber ◽

Ferhat Demiray

Keyword(s):

Electronic Structure ◽

Excited State ◽

Electric Field ◽

Field Effect ◽

Theoretical Study ◽

Dipole Moments ◽

Electric Field Effect ◽

Phenol Derivatives ◽

Excited State Dipole Moments ◽

External Electric Field Effect

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Ground state and excited state dipole moments of alkyl substituted para-nitroaniline derivatives

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.04.008 ◽

2008 ◽

Vol 71 (4) ◽

pp. 1355-1359 ◽

Cited By ~ 3

Author(s):

R. Dhanya ◽

V.C. Kishore ◽

C. Sudha Kartha ◽

K. Sreekumar ◽

Rani Joseph

Keyword(s):

Excited State ◽

Ground State ◽

Dipole Moments ◽

Excited State Dipole Moments

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Excited state dipole moments of nitrobenzene derivatives

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29780000849 ◽

1978 ◽

pp. 849 ◽

Cited By ~ 9

Author(s):

Salvatore Millefiori ◽

Felice Zuccarello ◽

Giuseppe Buemi

Keyword(s):

Excited State ◽

Dipole Moments ◽

Excited State Dipole Moments

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Photophysical study of 6-amino-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile and estimation of ground-state and singlet excited-state dipole moments by solvatochromic approaches

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.07.133 ◽

2016 ◽

Vol 222 ◽

pp. 828-835 ◽

Cited By ~ 6

Author(s):

Rekha Kumari ◽

Anitha Varghese ◽

Louis George ◽

Akshaya K.B.

Keyword(s):

Excited State ◽

Ground State ◽

Dipole Moments ◽

Singlet Excited State ◽

Photophysical Study ◽

Excited State Dipole Moments

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