UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods
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UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods
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369 views
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Improta R
Comput Strateg For Spectrosc (ISSN: 9780-4704)
,
2011;
N/D: 37-75.
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Paper type:
Book Chapter,
Impact factor:
0,
5-year impact factor:
0
Url:
http://www.scopus.com/inward/record.url?eid=2-s2.0-84865507329&partnerID=40&md5=e989a5147fac5f0486630d87a30b984e
Keywords:
Medium-Large, Emission Spectra, Pcm Td-Dft Methods, Uv-Vis Absorption,
Affiliations:
*** IBB - CNR ***
CNR-Consiglio Nazionale delle Ricerche, Istituto Biostrutturee Bioimmagini, Via Mezzocannone 16I, I80134 Naples, Italy
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UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods
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Martinez-fernandez L, Pepino AJ, Segarra-marti J, Banyasz A, Garavelli M,
Improta R
*
Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models
(
245 views
)
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic, 1549-9618linking)
,
2016 Sep 13;
12(9): 4430-4439.
Impact Factor:
5.245
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Stendardo E, Ferrer F, Santoro F,
Improta R
*
The absorption and emission spectra in solution of oligothiophene-based push–pull biomarkers: a PCM/TD-DFT vibronic study
(
285 views
)
Theoretical Chemistry Accounts
,
2016 Jun;
135: 1-17.
Impact Factor:
1.806
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Petrone A, Cerezo J, Ferrer FJA, Donati G,
Improta R
, Rega N, Santoro F
*
Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches
(
640 views
)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking)
,
2015;
119(21): 5426-5438.
Impact Factor:
2.883
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Musumeci D
, Rozza L,
Merlino A
, Paduano L, Marzo T, Massai L, Messori L, Montesarchio D
*
Interaction of anticancer Ru(III) complexes with single stranded and duplex DNA model systems
(
874 views
)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking)
,
2015;
44(31): 13914-13925.
Impact Factor:
4.177
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Improta R
, Ferrer FJ, Stendardo E, Santoro F
*
Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations
(
415 views
)
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-4235linking)
,
2014 Oct 20;
15(15): 3320-3333.
Impact Factor:
3.419
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Avila Ferrer FJ, Cerezo J, Stendardo E,
Improta R
, Santoro F
*
Insights for an accurate comparison of computational data to experimental absorption and emission spectra: Beyond the vertical transition approximation
(
1221 views
)
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic, 1549-9618linking)
,
2013 Apr;
9(4): 2072-2082.
Impact Factor:
5.31
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Stendardo E, Avila FJA, Santoro F,
Improta R
*
Vibrationally resolved absorption and emission spectra of dithiophene in the gas phase and in solution by first-principle quantum mechanical calculations
(
803 views
)
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic, 1549-9618linking)
,
2012;
8(11): 4483-4493.
Impact Factor:
5.389
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7
Records (
7
excluding Abstracts).
Total impact factor:
28.229
(
28.229
excluding Abstracts).
Total 5 year impact factor:
28.112
(
28.112
excluding Abstracts).
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Last modified by
Marco Comerci
on Sunday 12 July 2020, 13:14:59
369 views.
Last view on Friday 11 October 2024, 0:29:20