137 related articles for article (PubMed ID: 24288508)
1. Static and dynamic electronic (hyper)polarizabilities of dimethylnaphthalene isomers: characterization of spatial contributions by density analysis.
Alparone A
ScientificWorldJournal; 2013; 2013():832682. PubMed ID: 24288508
[TBL] [Abstract][Full Text] [Related]
2. Electronic polarizability as a predictor of biodegradation rates of dimethylnaphthalenes. an ab initio and density functional theory study.
Librando V; Alparone A
Environ Sci Technol; 2007 Mar; 41(5):1646-52. PubMed ID: 17396655
[TBL] [Abstract][Full Text] [Related]
3. First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones.
Muhammad S; Al-Sehemi AG; Su Z; Xu H; Irfan A; Chaudhry AR
J Mol Graph Model; 2017 Mar; 72():58-69. PubMed ID: 28064080
[TBL] [Abstract][Full Text] [Related]
4. Solvation effects on the static and dynamic first-order electronic and vibrational hyperpolarizabilities of uracil: a polarized continuum model investigation.
Alparone A
ScientificWorldJournal; 2013; 2013():652124. PubMed ID: 24453886
[TBL] [Abstract][Full Text] [Related]
5. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities.
Bulik IW; Zaleśny R; Bartkowiak W; Luis JM; Kirtman B; Scuseria GE; Avramopoulos A; Reis H; Papadopoulos MG
J Comput Chem; 2013 Jul; 34(20):1775-84. PubMed ID: 23677638
[TBL] [Abstract][Full Text] [Related]
6. TD-DFT Studies on sp- and sp
Omri N; Bu Y
J Phys Chem A; 2021 Jan; 125(1):106-114. PubMed ID: 33355451
[TBL] [Abstract][Full Text] [Related]
7. On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF.
Avramopoulos A; Reis H; Luis JM; Papadopoulos MG
J Comput Chem; 2013 Jun; 34(17):1446-55. PubMed ID: 23553331
[TBL] [Abstract][Full Text] [Related]
8. Rate constants for the gas-phase reactions of a series of alkylnaphthalenes with the OH radical.
Phousongphouang PT; Arey J
Environ Sci Technol; 2002 May; 36(9):1947-52. PubMed ID: 12026975
[TBL] [Abstract][Full Text] [Related]
9. Dynamic (hyper)polarizabilities of the ozone molecule: coupled cluster calculations including vibrational corrections.
Naves ES; Castro MA; Fonseca TL
J Chem Phys; 2011 Feb; 134(5):054315. PubMed ID: 21303128
[TBL] [Abstract][Full Text] [Related]
10. The electronic properties of trimethylnaphthalenes as properties for the prediction of biodegradation rates: ab initio and DFT study.
Ostojić BD; Đorđević DS
Chemosphere; 2012 Jun; 88(1):91-7. PubMed ID: 22440638
[TBL] [Abstract][Full Text] [Related]
11. Microbial oxidation of dimethylnaphthalene isomers.
Miyachi N; Tanaka T; Suzuki T; Hotta Y; Omori T
Appl Environ Microbiol; 1993 May; 59(5):1504-6. PubMed ID: 8517744
[TBL] [Abstract][Full Text] [Related]
12. Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene.
Zaleśny R; Bulik IW; Bartkowiak W; Luis JM; Avramopoulos A; Papadopoulos MG; Krawczyk P
J Chem Phys; 2010 Dec; 133(24):244308. PubMed ID: 21197994
[TBL] [Abstract][Full Text] [Related]
13. Molecular structure and vibrational spectral investigation of charge transfer NLO crystal naphthalene picrate for THz application.
Amalanathan M; Hubert Joe I; Rastogi VK
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():256-67. PubMed ID: 23501937
[TBL] [Abstract][Full Text] [Related]
14. Rate constants for the gas-phase reactions of a series of alkylnaphthalenes with the nitrate radical.
Phousongphouang PT; Arey J
Environ Sci Technol; 2003 Jan; 37(2):308-13. PubMed ID: 12564902
[TBL] [Abstract][Full Text] [Related]
15. Theoretical study of the molecular properties of dimethylanthracenes as properties for the prediction of their biodegradation and mutagenicity.
Ostojić BD; Stanković B; Ðorđević DS
Chemosphere; 2014 Sep; 111():144-50. PubMed ID: 24997911
[TBL] [Abstract][Full Text] [Related]
16. Size- and shape-dependent polarizabilities of sandwich and rice-ball Co(n)Bz(m) clusters from density functional theory.
Wang J; Zhu L; Zhang X; Yang M
J Phys Chem A; 2008 Sep; 112(36):8226-30. PubMed ID: 18700735
[TBL] [Abstract][Full Text] [Related]
17. Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice.
Casassa S; Baima J; Mahmoud A; Kirtman B
J Chem Phys; 2014 Jun; 140(22):224702. PubMed ID: 24929409
[TBL] [Abstract][Full Text] [Related]
18. Dynamic (hyper)polarizabilities of the sulphur dioxide molecule: coupled cluster calculations including vibrational corrections.
Naves ES; Castro MA; Fonseca TL
J Chem Phys; 2012 Jan; 136(1):014303. PubMed ID: 22239777
[TBL] [Abstract][Full Text] [Related]
19. Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: the first dipole hyperpolarizability of retinal and related molecules.
Gao B; Ringholm M; Bast R; Ruud K; Thorvaldsen AJ; Jaszuński M
J Phys Chem A; 2014 Jan; 118(4):748-56. PubMed ID: 24405250
[TBL] [Abstract][Full Text] [Related]
20. Electronic and Vibrational Nonlinear Optical Properties of Five Representative Electrides.
Garcia-Borràs M; Solà M; Luis JM; Kirtman B
J Chem Theory Comput; 2012 Aug; 8(8):2688-97. PubMed ID: 26592114
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]