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 *

169 related articles for article (PubMed ID: 23605138)

  • 21. DFT computational analysis of piracetam.
    Rajesh P; Gunasekaran S; Seshadri S; Gnanasambandan T
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():249-55. PubMed ID: 24873890
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Valence and dipole-bound anions of the most stable tautomers of guanine.
    Haranczyk M; Gutowski M
    J Am Chem Soc; 2005 Jan; 127(2):699-706. PubMed ID: 15643895
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Isomer- and species-selective infrared spectroscopy of jet-cooled 7H- and 9H-2-aminopurine and 2-aminopurine·H2O clusters.
    Sinha RK; Lobsiger S; Leutwyler S
    J Phys Chem A; 2012 Feb; 116(4):1129-36. PubMed ID: 22204381
    [TBL] [Abstract][Full Text] [Related]  

  • 24. The small planarization barriers for the amino group in the nucleic acid bases.
    Wang S; Schaefer HF
    J Chem Phys; 2006 Jan; 124(4):044303. PubMed ID: 16460158
    [TBL] [Abstract][Full Text] [Related]  

  • 25. An exploration of electronic structure and nuclear dynamics in tropolone. I. The X 1A1 ground state.
    Burns LA; Murdock D; Vaccaro PH
    J Chem Phys; 2006 May; 124(20):204307. PubMed ID: 16774332
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: an assessment of electron correlation contributions.
    Jacquemin D; Andre JM; Perpete EA
    J Chem Phys; 2004 Sep; 121(9):4389-96. PubMed ID: 15332990
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations.
    Khalid M; Hussain R; Hussain A; Ali B; Jaleel F; Imran M; Assiri MA; Khan MU; Ahmed S; Abid S; Haq S; Saleem K; Majeed S; Tariq CJ
    Molecules; 2019 Jun; 24(11):. PubMed ID: 31159484
    [TBL] [Abstract][Full Text] [Related]  

  • 28. The effect of the electronic structure method and basis set on the accuracy of the electric multipoles computed with the distributed multipole analysis (DMA).
    Oliveira RSS; Oliveira MAS; Borges I
    J Mol Model; 2023 Nov; 29(11):357. PubMed ID: 37917318
    [TBL] [Abstract][Full Text] [Related]  

  • 29. 1-Pentamethylbenzyl-3-(n)buthylbenzimidazolesilver(I)bromide complex: synthesis, characterization and DFT calculations.
    Kunduracıoğlu A; Tamer Ö; Avcı D; Kani I; Atalay Y; Cetinkaya B
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():35-45. PubMed ID: 24220668
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Quantum-mechanical computations on the electronic structure of trans-resveratrol and trans-piceatannol: a theoretical study of the stacking interactions in trans-resveratrol dimers.
    Mikulski D; Molski M
    J Mol Model; 2012 Jul; 18(7):3255-66. PubMed ID: 22249749
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Orange-Red Fluorescent (Partially Rigidified) Donor-π-(rigidified)-Acceptor System - Computational Studies.
    Bhalekar SB; Bhagwat AA; Sekar N
    J Fluoresc; 2020 May; 30(3):565-579. PubMed ID: 32222855
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic properties.
    Balachandran V; Santhi G; Karpagam V; Rastogi VK
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():835-46. PubMed ID: 24152867
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Optimizing calculations of electronic excitations and relative hyperpolarizabilities of electrooptic chromophores.
    Johnson LE; Dalton LR; Robinson BH
    Acc Chem Res; 2014 Nov; 47(11):3258-65. PubMed ID: 24967617
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Interaction of guanine, its anions, and radicals with lysine in different charge states.
    Jena NR; Mishra PC
    J Phys Chem B; 2007 May; 111(19):5418-24. PubMed ID: 17432899
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 36. A Systematic Study of DFT Performance for Geometry Optimizations of Ionic Liquid Clusters.
    Seeger ZL; Izgorodina EI
    J Chem Theory Comput; 2020 Oct; 16(10):6735-6753. PubMed ID: 32865998
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 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]  

  • 38. Doping-enhanced hyperpolarizabilities of silicon clusters: a global ab initio and density functional theory study of Si10 (Li, Na, K)n (n=1, 2) clusters.
    Karamanis P; Marchal R; Carbonniére P; Pouchan C
    J Chem Phys; 2011 Jul; 135(4):044511. PubMed ID: 21806142
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.
    Zaleśny R; Baranowska-Łączkowska A; Medveď M; Luis JM
    J Chem Theory Comput; 2015 Sep; 11(9):4119-28. PubMed ID: 26575907
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Dimers of boroglycine and methylamine boronic acid: a computational comparison of the relative importance of dative versus hydrogen bonding.
    Larkin JD; Milkevitch M; Bhat KL; Markham GD; Brooks BR; Bock CW
    J Phys Chem A; 2008 Jan; 112(1):125-33. PubMed ID: 18072757
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.