145 related articles for article (PubMed ID: 18491872)
1. Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study.
Leyva V; Corral I; Schmierer T; Heinz B; Feixas F; Migani A; Blancafort L; Gilch P; González L
J Phys Chem A; 2008 Jun; 112(23):5046-53. PubMed ID: 18491872
[TBL] [Abstract][Full Text] [Related]
2. A comparative analysis of the UV/Vis absorption spectra of nitrobenzaldehydes.
Leyva V; Corral I; Schmierer T; Gilch P; González L
Phys Chem Chem Phys; 2011 Mar; 13(10):4269-78. PubMed ID: 21240440
[TBL] [Abstract][Full Text] [Related]
3. Intramolecular electronic communication in a dimethylaminoazobenzene-fullerene C60 dyad: an experimental and TD-DFT study.
Kumar KS; Patnaik A
J Comput Chem; 2010 Apr; 31(6):1182-94. PubMed ID: 19827143
[TBL] [Abstract][Full Text] [Related]
4. UV-visible absorption spectra of [Ru(E)(E')(CO)(2)(iPr-DAB)] (E = E' = SnPh(3) or Cl; E = SnPh(3) or Cl, E' = CH(3); iPr-DAB = N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): combination of CASSCF/CASPT2 and TD-DFT calculations.
Turki M; Daniel C; Zális S; Vlcek A; van Slageren J; Stufkens DJ
J Am Chem Soc; 2001 Nov; 123(46):11431-40. PubMed ID: 11707120
[TBL] [Abstract][Full Text] [Related]
5. Theoretical investigation of anthracene-9,10-endoperoxide vertical singlet and triplet excitation spectra.
Corral I; González L
J Comput Chem; 2008 Sep; 29(12):1982-91. PubMed ID: 18366030
[TBL] [Abstract][Full Text] [Related]
6. Photochemistry of CH3Mn(CO)5: a multiconfigurational ab initio study.
González L; Daniel C
J Comput Chem; 2006 Nov; 27(15):1781-6. PubMed ID: 16917860
[TBL] [Abstract][Full Text] [Related]
7. TD-DFT investigation of triple-stranded helicates with bis(benzene-o-dithiolato) ligands.
Gancheff JS
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Mar; 78(3):1037-45. PubMed ID: 21239216
[TBL] [Abstract][Full Text] [Related]
8. Two-photon absorption properties of two-dimensional π-conjugated chromophores: combined experimental and theoretical study.
Ohta K; Yamada S; Kamada K; Slepkov AD; Hegmann FA; Tykwinski RR; Shirtcliff LD; Haley MM; Sałek P; Gel'mukhanov F; Ågren H
J Phys Chem A; 2011 Jan; 115(2):105-17. PubMed ID: 21158452
[TBL] [Abstract][Full Text] [Related]
9. Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH).
Eisfeld W
J Phys Chem A; 2006 Mar; 110(11):3903-10. PubMed ID: 16539411
[TBL] [Abstract][Full Text] [Related]
10. Photodissociation mechanism of nitramide: a CAS-SCF and MS-CASPT2 study.
Arenas JF; Otero JC; Pelaez D; Soto J
J Phys Chem A; 2005 Aug; 109(32):7172-80. PubMed ID: 16834081
[TBL] [Abstract][Full Text] [Related]
11. An evolved explanation for the molecular geometry and electronic structure of diphenyl-substituted cyclic trimethylenemethane in the ground state: a nearly planar conformation with a considerably localized electronic state.
Ikeda H; Namai H; Taki H; Miyashi T
J Org Chem; 2005 May; 70(10):3806-13. PubMed ID: 15876064
[TBL] [Abstract][Full Text] [Related]
12. Ab initio study of the mechanism for photoinduced Yl-oxygen exchange in uranyl(VI) in acidic aqueous solution.
Réal F; Vallet V; Wahlgren U; Grenthe I
J Am Chem Soc; 2008 Sep; 130(35):11742-51. PubMed ID: 18686948
[TBL] [Abstract][Full Text] [Related]
13. Theoretical study of structure, vibrational frequencies, and electronic spectra of polychlorinated dibenzo-p-dioxins.
Ljubić I; Sabljić A
J Phys Chem A; 2006 Apr; 110(13):4524-34. PubMed ID: 16571059
[TBL] [Abstract][Full Text] [Related]
14. 4-Substituted 1-acyloxypyridine-2(1H)-thiones: experimental and computational studies of the substituent effect on electronic absorption spectra.
Jankowiak A; Kaszynski P
J Org Chem; 2009 Oct; 74(19):7441-8. PubMed ID: 19739610
[TBL] [Abstract][Full Text] [Related]
15. Photolysis of o-nitrobenzaldehyde in the gas phase: a new OH* formation channel.
Cheng SB; Zhou CH; Yin HM; Sun JL; Han KL
Chemphyschem; 2009 May; 10(7):1135-42. PubMed ID: 19334025
[TBL] [Abstract][Full Text] [Related]
16. Localised to intraligand charge-transfer states in cyclometalated platinum complexes: an experimental and theoretical study into the influence of electron-rich pendants and modulation of excited states by ion binding.
Rochester DL; Develay S; Zális S; Williams JA
Dalton Trans; 2009 Mar; (10):1728-41. PubMed ID: 19240906
[TBL] [Abstract][Full Text] [Related]
17. Spectroscopic studies and structures of trans-ruthenium(II) and ruthenium(III) bis(cyanide) complexes supported by a tetradentate macrocyclic tertiary amine ligand.
Wong CY; Lee FW; Che CM; Cheng YF; Phillips DL; Zhu N
Inorg Chem; 2008 Nov; 47(22):10308-16. PubMed ID: 18850698
[TBL] [Abstract][Full Text] [Related]
18. Electronic structure of alkoxychromium(0) carbene complexes: a joint TD-DFT/experimental study.
Lage ML; Fernández I; Mancheño MJ; Sierra MA
Inorg Chem; 2008 Jun; 47(12):5253-8. PubMed ID: 18479125
[TBL] [Abstract][Full Text] [Related]
19. Experimental and theoretical study of substituent effects of iodonitrobenzenes.
Yao L; Du L; Ge M; Ma C; Wang D
J Phys Chem A; 2007 Oct; 111(40):10105-10. PubMed ID: 17880050
[TBL] [Abstract][Full Text] [Related]
20. trans-cis photoisomerization of azobenzene-conjugated dithiolato-bipyridine platinum(II) complexes: extension of photoresponse to longer wavelengths and photocontrollable tristability.
Sakamoto R; Kume S; Sugimoto M; Nishihara H
Chemistry; 2009; 15(6):1429-39. PubMed ID: 19089879
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]