A Generalized Polarizable Continuum Model For The Study Of Heterogeneous Dielectric Environments
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A Generalized Polarizable Continuum Model For The Study Of Heterogeneous Dielectric Environments
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374 views
)
Iozzi MF, Cossi M,
Improta R
, Rega N, Barone V
Journal Of Chemical Physics
,
2006;
124: 1-9.
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Paper type:
Journal Article,
Impact factor:
2.028,
5-year impact factor:
1.857
Url:
Not available.
Keywords:
Not available.
Affiliations:
*** IBB - CNR ***
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A Generalized Polarizable Continuum Model For The Study Of Heterogeneous Dielectric Environments
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A Generalized Polarizable Continuum Model For The Study Of Heterogeneous Dielectric Environments
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A Generalized Polarizable Continuum Model For The Study Of Heterogeneous Dielectric Environments
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Longo DL
,
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*
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Petrone A, Cerezo J, Ferrer FJA, Donati G,
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Fahleson T, Kauczor J, Norman P, Santoro F,
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Benetti F, Biarnés X, Attanasio F, Giachin G, Rizzarelli E, Legname G
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Improta R
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Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex
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Lin LL,
Merlino A
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Heterogeneous nucleation helps the search for initial crystallization conditions of γ-glutamyl transpeptidase from Bacillus licheniformis
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Improta R
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Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study
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Banyasz A, Douki T,
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, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
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Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study
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Clemente F, Costa M, Monini S, Barbara M
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Palma G
,
Comerci M
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Quarantelli M
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Generalized Formalism Of The Extended Phase Diagram: Theory And Computational Applications
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Palma G
,
Comerci M
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Prinster A
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Quarantelli M
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Alfano B
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Generalized Formalism Of The Extended Phase Diagram And Computational Applications Including An Mri Simulator
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(PDF
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Ismrm Esmrmb Joint Annual Meeting 2010
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Improta R
, Barone V
*
PCM/TD-DFT study of the two lowest excited states of uracil derivatives in solution: The effect of the functional and of the cavity model
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2009 Nov 30;
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Arnesano F, Scintilla S, Calò V, Bonfrate E, Ingrosso C, Losacco M, Pellegrino T, Rizzarelli E, Natile G
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Copper-triggered aggregation of ubiquitin
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2009 Sep 16;
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Coppola G, Fortunato D, Auricchio G, Mainolfi C, Operto FF, Signoriello G, Pascotto A,
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Bone mineral density in children, adolescents, and young adults with epilepsy
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Improta R
, Scalmani G, Frisch MJ, Barone V
*
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
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2007 Sep 21;
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Santoro F,
Improta R
, Lami A, Bloino J, Barone V
*
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution
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2007 Feb 28;
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Santoro F, Barone V, Gustavsson T,
Improta R
*
Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water
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2006 Dec 20;
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Impact Factor:
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Improta R
, Barone V, Scalmani G, Frisch MJ
*
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
(
406 views
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J Chem Phys (ISSN: 0021-9606, 0897-690online)
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2006 Sep 7;
125(5): N/D-N/D.
Impact Factor:
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Barone V, Newton MD,
Improta R
*
Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model
(
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2006 Jun 29;
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Impact Factor:
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Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V,
Improta R
*
Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives
(
764 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
,
2006 Jan 18;
128(2): 607-619.
Impact Factor:
7.696
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Benzi C, Cossi M,
Improta R
, Barone V
*
A Contribution To The Solvation Free Energy In Isotropic And Anisotropic Polarizable Continuum Model
(
282 views
)
Journal Of Computational Chemistry
,
2005;
26: 1096-1105.
Impact Factor:
0.888
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Barone V,
Improta R
, Rega N
*
Computation of protein pK's values by an integrated density functional theory/Polarizable Continuum Model approach
(
351 views
)
Theor Chem Acc (ISSN: 1432-881x)
,
2004;
111(2-6): 237-245.
Impact Factor:
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Cimino P,
Improta R
, Bifulco G, Riccio R, Gomez-paloma L, Barone V
*
Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution
(
668 views
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2004;
69(8): 2816-2824.
Impact Factor:
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Saracino GA,
Improta R
, Scalmani G, Barone V
*
Absolute pKa determination for carboxylic acids using density functional theory and the polarizable continuum model
(
325 views
)
Chem Phys Lett (ISSN: 0009-2614)
,
2003;
373(3-4): 411-415.
Impact Factor:
2.438
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Zell R, Sidigi K, Bucci E, Stelzner A, Goerlach M
*
Determinants of the recognition of enteroviral cloverleaf RNA by coxsackievirus B3 proteinase 3C
(
557 views
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Rna (ISSN: 1355-8382)
,
2002;
8(2): 188-201.
Impact Factor:
5.099
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25
Records (
19
excluding Abstracts).
Total impact factor:
89.705
(
76.1
excluding Abstracts).
Total 5 year impact factor:
95.995
(
82.384
excluding Abstracts).
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Last modified by
Marco Comerci
on Sunday 12 July 2020, 13:15:07
374 views.
Last view on Friday 31 May 2024, 22:44:48