195 related articles for article (PubMed ID: 16853586)
21. Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory.
Mennucci B; Cappelli C; Guido CA; Cammi R; Tomasi J
J Phys Chem A; 2009 Apr; 113(13):3009-20. PubMed ID: 19226132
[TBL] [Abstract][Full Text] [Related]
22. High-throughput modeling and analysis of protein structural dynamics.
Liu X; Karimi HA
Brief Bioinform; 2007 Nov; 8(6):432-45. PubMed ID: 17485424
[TBL] [Abstract][Full Text] [Related]
23. Predicting disulfide connectivity from protein sequence using multiple sequence feature vectors and secondary structure.
Song J; Yuan Z; Tan H; Huber T; Burrage K
Bioinformatics; 2007 Dec; 23(23):3147-54. PubMed ID: 17942444
[TBL] [Abstract][Full Text] [Related]
24. A dynamic coupling model for sum frequency chiral response from liquids composed of molecules with a chiral side chain and an achiral chromophore.
Ji N; Shen YR
J Am Chem Soc; 2005 Sep; 127(37):12933-42. PubMed ID: 16159287
[TBL] [Abstract][Full Text] [Related]
25. Molecular orbital calculations on polythiophenes containing heterocyclic substituents: effect of structure on electronic transitions.
Radhakrishnan S; Parthasarathi R; Subramanian V; Somanathan N
J Phys Chem B; 2006 Jul; 110(29):14078-86. PubMed ID: 16854103
[TBL] [Abstract][Full Text] [Related]
26. Theoretical study of sum-frequency vibrational spectroscopy off electronic resonance on limonene chiral liquids.
Zheng RH; Wei WM
J Phys Chem B; 2007 Feb; 111(6):1431-7. PubMed ID: 17286355
[TBL] [Abstract][Full Text] [Related]
27. Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.
Sumner I; Iyengar SS
J Phys Chem A; 2007 Oct; 111(41):10313-24. PubMed ID: 17894476
[TBL] [Abstract][Full Text] [Related]
28. Origin of high second- and third-order nonlinear optical response in ammonio/borato diphenylpolyene zwitterions: the remarkable role of polarized aromatic groups.
Geskin VM; Lambert C; Brédas JL
J Am Chem Soc; 2003 Dec; 125(50):15651-8. PubMed ID: 14664614
[TBL] [Abstract][Full Text] [Related]
29. Optical, redox, and NLO properties of tricyanovinyl oligothiophenes: comparisons between symmetric and asymmetric substitution patterns.
Casado J; Ruiz Delgado MC; Rey Merchán MC; Hernández V; López Navarrete JT; Pappenfus TM; Williams N; Stegner WJ; Johnson JC; Edlund BA; Janzen DE; Mann KR; Orduna J; Villacampa B
Chemistry; 2006 Jul; 12(21):5458-70. PubMed ID: 16628759
[TBL] [Abstract][Full Text] [Related]
30. Electrochemical, linear optical, and nonlinear optical properties and interpretation by density functional theory calculations of (4-N,N-dimethylaminostyryl)-pyridinium pendant group associated with polypyridinic ligands and respective multifunctional metal complexes (Ru(II) or Zn(II)).
Dumur F; Mayer CR; Hoang-Thi K; Ledoux-Rak I; Miomandre F; Clavier G; Dumas E; Méallet-Renault R; Frigoli M; Zyss J; Sécheresse F
Inorg Chem; 2009 Sep; 48(17):8120-33. PubMed ID: 19642646
[TBL] [Abstract][Full Text] [Related]
31. An investigation on the second order nonlinear optical response of tris-cyclometallated Ir(III) complexes with variously substituted 2-phenylpyridines.
Zaarour M; Guerchais V; Le Bozec H; Dragonetti C; Righetto S; Roberto D; De Angelis F; Fantacci S; Lobello MG
Dalton Trans; 2013 Jan; 42(1):155-9. PubMed ID: 23051730
[TBL] [Abstract][Full Text] [Related]
32. Application of expert networks for predicting proteins secondary structure.
Sivan S; Filo O; Siegelmann H
Biomol Eng; 2007 Jun; 24(2):237-43. PubMed ID: 17236807
[TBL] [Abstract][Full Text] [Related]
33. Using support vector machines for prediction of protein structural classes based on discrete wavelet transform.
Qiu JD; Luo SH; Huang JH; Liang RP
J Comput Chem; 2009 Jun; 30(8):1344-50. PubMed ID: 19009604
[TBL] [Abstract][Full Text] [Related]
34. An exact reformulation of the diagonalization step in electronic structure calculations as a set of second order nonlinear equations.
Liang W; Head-Gordon M
J Chem Phys; 2004 Jun; 120(22):10379-84. PubMed ID: 15268065
[TBL] [Abstract][Full Text] [Related]
35. On the characterization of energy networks of proteins.
Veloso CJ; Silveira CH; Melo RC; Ribeiro C; Lopes JC; Santoro MM; Meira W
Genet Mol Res; 2007 Oct; 6(4):799-820. PubMed ID: 18058705
[TBL] [Abstract][Full Text] [Related]
36. Quantum-classical description of the amide I vibrational spectrum of trialanine.
Gorbunov RD; Nguyen PH; Kobus M; Stock G
J Chem Phys; 2007 Feb; 126(5):054509. PubMed ID: 17302487
[TBL] [Abstract][Full Text] [Related]
37. Chirality-induced signals in coherent multidimensional spectroscopy of excitons.
Abramavicius D; Mukamel S
J Chem Phys; 2006 Jan; 124(3):034113. PubMed ID: 16438573
[TBL] [Abstract][Full Text] [Related]
38. The consistency analysis of different semiempirical calculations on second- and third-order nonlinear optical properties of donor-acceptor chromophores containing alpha-cyan.
Avci D
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Oct; 77(3):665-72. PubMed ID: 20692202
[TBL] [Abstract][Full Text] [Related]
39. Library of local descriptors models the core of proteins accurately.
Drabikowski M; Nowakowski S; Tiuryn J
Proteins; 2007 Nov; 69(3):499-510. PubMed ID: 17623841
[TBL] [Abstract][Full Text] [Related]
40. Nonlinear optical properties in calix[n]arenes: orientation effects of monomers.
Datta A; Pati SK
Chemistry; 2005 Aug; 11(17):4961-9. PubMed ID: 15973743
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
