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 *

194 related articles for article (PubMed ID: 27008426)

  • 21. FT-IR, FT-Raman, UV-visible, and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol.
    Chain FE; Leyton P; Paipa C; Fortuna M; Brandán SA
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():303-13. PubMed ID: 25498827
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Practical quantum mechanics-based fragment methods for predicting molecular crystal properties.
    Wen S; Nanda K; Huang Y; Beran GJ
    Phys Chem Chem Phys; 2012 Jun; 14(21):7578-90. PubMed ID: 22322906
    [TBL] [Abstract][Full Text] [Related]  

  • 23. The water-benzene interaction: insight from electronic structure theories.
    Ma J; Alfè D; Michaelides A; Wang E
    J Chem Phys; 2009 Apr; 130(15):154303. PubMed ID: 19388742
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods.
    Cyrański MK; Jezierska A; Klimentowska P; Panek JJ; Zukowska GZ; Sporzyński A
    J Chem Phys; 2008 Mar; 128(12):124512. PubMed ID: 18376948
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.
    Agarwal P; Bee S; Gupta A; Tandon P; Rastogi VK; Mishra S; Rawat P
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():464-82. PubMed ID: 24287056
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Identifying aspirin polymorphs from combined DFT-based crystal structure prediction and solid-state NMR.
    Mathew R; Uchman KA; Gkoura L; Pickard CJ; Baias M
    Magn Reson Chem; 2020 Nov; 58(11):1018-1025. PubMed ID: 31900955
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum Perchlorate-DFT study.
    Manimaran D; Jesintha John C; Rastogi VK; Hubert Joe I
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 109():173-8. PubMed ID: 23523760
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Guanine crystals: a first principles study.
    Ortmann F; Hannewald K; Bechstedt F
    J Phys Chem B; 2008 Feb; 112(5):1540-8. PubMed ID: 18197657
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Electronic structure, vibrational spectral and intervening orbital interactions studies of NLO material: guanidinium 4-nitrobenzoate.
    Sasikala V; Sajan D; Sabu KJ; Arumanayagam T; Murugakoothan P
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():555-72. PubMed ID: 25600681
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Prediction of lattice energy of benzene crystals: A robust theoretical approach.
    Nguyen ALP; Mason TG; Freeman BD; Izgorodina EI
    J Comput Chem; 2021 Feb; 42(4):248-260. PubMed ID: 33231872
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
    Kumar A; Deval V; Tandon P; Gupta A; Deepak D'silva E
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():41-53. PubMed ID: 24762572
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. Structure and spectral properties of L-histidinium dipicrate dihydrate.
    Sethuram M; Dhandapani M; Sethu Raman M; Amirthaganesan G; Senthilkumar K
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():102-11. PubMed ID: 24044988
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Vibrational spectra and chemical quantum calculations for 2-adamantylamino-5-nitropyridine crystals--a novel material for laser Raman converters.
    Lorenc J; Hanuza J; Maczka M; Kucharska E; Kaminskii AA; Kaino T; Yaima T; Yokoo A
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Feb; 61(4):685-95. PubMed ID: 15649801
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Water-benzene interactions: an effective fragment potential and correlated quantum chemistry study.
    Slipchenko LV; Gordon MS
    J Phys Chem A; 2009 Mar; 113(10):2092-102. PubMed ID: 19072625
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Computation and interpretation of vibrational spectra on the structure of Losartan using ab initio and Density Functional methods.
    Latha B; Gunasekaran S; Srinivasan S; Ramkumaar GR
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():375-86. PubMed ID: 24887499
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Face-integrated Fukui function: understanding wettability anisotropy of molecular crystals from density functional theory.
    Li T; Liu S; Feng S; Aubrey CE
    J Am Chem Soc; 2005 Feb; 127(5):1364-5. PubMed ID: 15686355
    [TBL] [Abstract][Full Text] [Related]  

  • 38. A conformational and vibrational study of CF(3)COSCH(2)CH(3).
    Lestard ME; Tuttolomondo ME; Wann DA; Robertson HE; Rankin DW; Ben Altabef A
    J Chem Phys; 2009 Dec; 131(21):214303. PubMed ID: 19968344
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Studies on Aspirin Crystals Generated by a Modified Vapor Diffusion Method.
    Mittal A; Malhotra D; Jain P; Kalia A; Shunmugaperumal T
    AAPS PharmSciTech; 2016 Aug; 17(4):988-94. PubMed ID: 26729528
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole.
    Arjunan V; Raj A; Santhanam R; Marchewka MK; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Feb; 102():327-40. PubMed ID: 23220675
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.