These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

113 related articles for article (PubMed ID: 24603889)

  • 21. Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: comparisons with IR and vibrational circular dichroism spectra.
    Kwac K; Lee KK; Han JB; Oh KI; Cho M
    J Chem Phys; 2008 Mar; 128(10):105106. PubMed ID: 18345930
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Calculation of optical rotatory dispersion and electronic circular dichroism for tris-bidentate groups 8 and 9 metal complexes, with emphasis on exciton coupling.
    Rudolph M; Autschbach J
    J Phys Chem A; 2011 Mar; 115(12):2635-49. PubMed ID: 21375228
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Theoretical modeling of peptide α-helical circular dichroism in aqueous solution.
    Kaminský J; Kubelka J; Bour P
    J Phys Chem A; 2011 Mar; 115(9):1734-42. PubMed ID: 21322543
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation.
    Caprasecca S; Jurinovich S; Viani L; Curutchet C; Mennucci B
    J Chem Theory Comput; 2014 Apr; 10(4):1588-98. PubMed ID: 26580371
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Excitation energies in solution: the fully polarizable QM/MM/PCM method.
    Steindal AH; Ruud K; Frediani L; Aidas K; Kongsted J
    J Phys Chem B; 2011 Mar; 115(12):3027-37. PubMed ID: 21391548
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Quantum mechanical polarizable continuum model approach to the Kerr effect of pure liquids.
    Cappelli C; Mennucci B; Cammi R; Rizzo A
    J Phys Chem B; 2005 Oct; 109(39):18706-14. PubMed ID: 16853406
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Axial chirality of donor-donor, donor-acceptor, and tethered 1,1'-binaphthyls: a theoretical revisit with dynamics trajectories.
    Nishizaka M; Mori T; Inoue Y
    J Phys Chem A; 2011 Jun; 115(21):5488-95. PubMed ID: 21557592
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach.
    Padula D; Picconi D; Lami A; Pescitelli G; Santoro F
    J Phys Chem A; 2013 Apr; 117(16):3355-68. PubMed ID: 23527703
    [TBL] [Abstract][Full Text] [Related]  

  • 29. The role of magnetic-electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes.
    Jurinovich S; Guido CA; Bruhn T; Pescitelli G; Mennucci B
    Chem Commun (Camb); 2015 Jul; 51(52):10498-501. PubMed ID: 26033039
    [TBL] [Abstract][Full Text] [Related]  

  • 30. An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster-configuration interaction method: the accuracy of excitation energies and intuitive charge-transfer indices.
    Fukuda R; Ehara M
    J Chem Phys; 2014 Oct; 141(15):154104. PubMed ID: 25338878
    [TBL] [Abstract][Full Text] [Related]  

  • 31. A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory.
    García-Fernández P; Andjelković L; Zlatar M; Gruden-Pavlović M; Dreuw A
    J Chem Phys; 2013 Nov; 139(17):174101. PubMed ID: 24206281
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Computational ECD spectrum simulation of the phytotoxin scytalone: importance of solvent effects on conformer populations.
    Mazzeo G; Cimmino A; Andolfi A; Evidente A; Superchi S
    Chirality; 2014 Sep; 26(9):502-8. PubMed ID: 24677276
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Finite-field method with unbiased polarizable continuum model for evaluation of the second hyperpolarizability of an open-shell singlet molecule in solvents.
    Inui T; Shigeta Y; Okuno K; Baba T; Kishi R; Nakano M
    J Comput Chem; 2013 Oct; 34(27):2345-52. PubMed ID: 23913641
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Intermolecular coulomb couplings from ab initio electrostatic potentials: application to optical transitions of strongly coupled pigments in photosynthetic antennae and reaction centers.
    Madjet ME; Abdurahman A; Renger T
    J Phys Chem B; 2006 Aug; 110(34):17268-81. PubMed ID: 16928026
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Density functional study of tetraphenylporphyrin long-range exciton coupling.
    Moore B; Autschbach J
    ChemistryOpen; 2012 Aug; 1(4):184-94. PubMed ID: 24551508
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Theoretical analysis of the porphyrin-porphyrin exciton interaction in circular dichroism spectra of dimeric tetraarylporphyrins.
    Pescitelli G; Gabriel S; Wang Y; Fleischhauer J; Woody RW; Berova N
    J Am Chem Soc; 2003 Jun; 125(25):7613-28. PubMed ID: 12812504
    [TBL] [Abstract][Full Text] [Related]  

  • 37. First-principles calculations of magnetic circular dichroism spectra.
    Ganyushin D; Neese F
    J Chem Phys; 2008 Mar; 128(11):114117. PubMed ID: 18361564
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Density functional calculations of the vibronic structure of electronic absorption spectra.
    Dierksen M; Grimme S
    J Chem Phys; 2004 Feb; 120(8):3544-54. PubMed ID: 15268516
    [TBL] [Abstract][Full Text] [Related]  

  • 39. 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]  

  • 40. Simulating Electron Dynamics in Polarizable Environments.
    Wu X; Teuler JM; Cailliez F; Clavaguéra C; Salahub DR; de la Lande A
    J Chem Theory Comput; 2017 Sep; 13(9):3985-4002. PubMed ID: 28738144
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.