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 *

131 related articles for article (PubMed ID: 22825887)

  • 1. Probing the electronic structure, chemical bonding, and excitation spectra of [CuE](+/0/-) (E = 14 group element) diatomics employing DFT and ab initio methods.
    Tsipis AC; Gkarmpounis DN
    J Comput Chem; 2012 Nov; 33(29):2318-31. PubMed ID: 22825887
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Density functional study of structural, electronic, and optical properties of small bimetallic ruthenium-copper clusters.
    Karagiannis EE; Kefalidis CE; Petrakopoulou I; Tsipis CA
    J Comput Chem; 2011 May; 32(7):1241-61. PubMed ID: 21425282
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides.
    Willans MJ; Demko BA; Wasylishen RE
    Phys Chem Chem Phys; 2006 Jun; 8(23):2733-43. PubMed ID: 16763706
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methods.
    Kornobis K; Kumar N; Wong BM; Lodowski P; Jaworska M; Andruniów T; Ruud K; Kozlowski PM
    J Phys Chem A; 2011 Feb; 115(7):1280-92. PubMed ID: 21280654
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl, and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene X. Some regularities.
    Panchenko YN; De Maré GR; Pupyshev VI; Abramenkov AV
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Dec; 68(5):1334-9. PubMed ID: 17507285
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Norbornyl cations of group 14 elements.
    Müller T; Bauch C; Ostermeier M; Bolte M; Auner N
    J Am Chem Soc; 2003 Feb; 125(8):2158-68. PubMed ID: 12590544
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum chemical and spectroscopic investigations of 5-aminoquinoline.
    Arjunan V; Mohan S; Balamourougane PS; Ravindran P
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1215-23. PubMed ID: 19854675
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Calculation of electronic circular dichroism spectra with time-dependent double-hybrid density functional theory.
    Goerigk L; Grimme S
    J Phys Chem A; 2009 Jan; 113(4):767-76. PubMed ID: 19102628
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
    Pandey KK; Lledós A
    Inorg Chem; 2009 Apr; 48(7):2748-59. PubMed ID: 19256519
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin.
    Andruniów T; Jaworska M; Lodowski P; Zgierski MZ; Dreos R; Randaccio L; Kozlowski PM
    J Chem Phys; 2008 Aug; 129(8):085101. PubMed ID: 19044851
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
    [TBL] [Abstract][Full Text] [Related]  

  • 12. [CuCl3]- and [CuCl4]2- hydrates in concentrated aqueous solution: a density functional theory and ab initio study.
    Yi HB; Xia FF; Zhou Q; Zeng D
    J Phys Chem A; 2011 May; 115(17):4416-26. PubMed ID: 21462945
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Optical Spectroscopy of Diatomic Species: Copper with Group 14 Elements (Si, Ge, Sn, Pb).
    Lefebvre Y; Schamps J
    J Mol Spectrosc; 2000 May; 201(1):128-133. PubMed ID: 10753618
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Photodissociation of Co-C bond in methyl- and ethylcobalamin: an insight from TD-DFT calculations.
    Lodowski P; Jaworska M; Andruniów T; Kumar M; Kozlowski PM
    J Phys Chem B; 2009 May; 113(19):6898-909. PubMed ID: 19374399
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A charge-transfer surface enhanced Raman scattering model from time-dependent density functional theory calculations on a Ag10-pyridine complex.
    Birke RL; Znamenskiy V; Lombardi JR
    J Chem Phys; 2010 Jun; 132(21):214707. PubMed ID: 20528041
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Spectroscopic and quantum chemical study of the novel compound cyclopropylmethylselenol.
    Cole GC; Møllendal H; Guillemin JC
    J Phys Chem A; 2006 Feb; 110(6):2134-8. PubMed ID: 16466248
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Spin-flip time dependent density functional theory applied to excited states with single, double, or mixed electron excitation character.
    Rinkevicius Z; Vahtras O; Agren H
    J Chem Phys; 2010 Sep; 133(11):114104. PubMed ID: 20866123
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations.
    Karabacak M; Cinar Z; Cinar M
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1511-9. PubMed ID: 21646044
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Lead-poisoned zinc fingers: quantum mechanical exploration of structure, coordination, and electronic excitations.
    Jarzecki AA
    Inorg Chem; 2007 Sep; 46(18):7509-21. PubMed ID: 17676837
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculations.
    Pignedoli CA; Curioni A; Andreoni W
    Chemphyschem; 2005 Sep; 6(9):1795-9. PubMed ID: 16144004
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.