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 *

369 related articles for article (PubMed ID: 22260481)

  • 1. Ab initio structural and vibrational investigation of sulfuric acid monohydrate.
    Partanen L; Hänninen V; Halonen L
    J Phys Chem A; 2012 Mar; 116(11):2867-79. PubMed ID: 22260481
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theory.
    Miliordos E; Aprà E; Xantheas SS
    J Chem Phys; 2013 Sep; 139(11):114302. PubMed ID: 24070285
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Calculation of the O-H stretching vibrational overtone spectrum of the water dimer.
    Salmi T; Hänninen V; Garden AL; Kjaergaard HG; Tennyson J; Halonen L
    J Phys Chem A; 2008 Jul; 112(28):6305-12. PubMed ID: 18572900
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL; Nizkorodov SA; Okumura M; Roehl CM; Francisco JS; Wennberg PO
    J Chem Phys; 2004 Jul; 121(3):1432-48. PubMed ID: 15260688
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Anharmonic zero point vibrational energies: tipping the scales in accurate thermochemistry calculations?
    Pfeiffer F; Rauhut G; Feller D; Peterson KA
    J Chem Phys; 2013 Jan; 138(4):044311. PubMed ID: 23387588
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G; Braams BJ; Bowman JM
    J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Correlated ab initio investigations on the intermolecular and intramolecular potential energy surfaces in the ground electronic state of the O2(-)(X2Πg)-HF(X1Σ+) complex.
    Fawzy WM; Elsayed M; Zhang Y
    J Chem Phys; 2013 Jan; 138(1):014304. PubMed ID: 23298038
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P2H(-): restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P2H and P2H(-).
    Mok DK; Lee EP; Chau FT; Dyke JM
    J Chem Phys; 2011 Sep; 135(12):124312. PubMed ID: 21974527
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions.
    Takatani T; David Sherrill C
    Phys Chem Chem Phys; 2007 Dec; 9(46):6106-14. PubMed ID: 18167585
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2 )2 and (PCCP)2.
    Van Dornshuld E; Tschumper GS
    J Comput Chem; 2014 Mar; 35(6):479-87. PubMed ID: 24403058
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN; Zheng J; Lin H; Jensen P; Thiel W
    J Chem Phys; 2005 Oct; 123(13):134308. PubMed ID: 16223289
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory.
    Rauhut G; Knizia G; Werner HJ
    J Chem Phys; 2009 Feb; 130(5):054105. PubMed ID: 19206956
    [TBL] [Abstract][Full Text] [Related]  

  • 13. XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods.
    Lane JR; Kjaergaard HG
    J Chem Phys; 2010 May; 132(17):174304. PubMed ID: 20459166
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
    J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Homogeneous and heterogeneous noncovalent dimers of formaldehyde and thioformaldehyde: structures, energetics, and vibrational frequencies.
    Van Dornshuld E; Holy CM; Tschumper GS
    J Phys Chem A; 2014 May; 118(18):3376-85. PubMed ID: 24766482
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg.
    Hill JG; Peterson KA
    Phys Chem Chem Phys; 2010 Sep; 12(35):10460-8. PubMed ID: 20603665
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Anharmonic rovibrational analysis for disilacyclopropenylidene (Si2CH2).
    Lu T; Wilke JJ; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2011 Apr; 134(16):164101. PubMed ID: 21528944
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG; Peterson KA; Knizia G; Werner HJ
    J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures.
    Spackman PR; Jayatilaka D; Karton A
    J Chem Phys; 2016 Sep; 145(10):104101. PubMed ID: 27634245
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effects of Heterogeneity in Small π-Type Dimers: Homogeneous and Mixed Dimers of Diacetylene and Cyanogen.
    Copeland KL; Tschumper GS
    J Chem Theory Comput; 2012 Nov; 8(11):4279-84. PubMed ID: 26605591
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 19.