BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

324 related articles for article (PubMed ID: 16737263)

  • 1. Reactions of F+(3P) and F+(1D) with silicon oxide. Possibility of spin-forbidden processes.
    Trujillo C; Lamsabhi AM; Mó O; Yañez M
    J Phys Chem A; 2006 Jun; 110(22):7130-7. PubMed ID: 16737263
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Intersystem crossings of the triplet and singlet States in cobalt and copper mononitrosyls.
    Uzunova EL
    J Phys Chem A; 2009 Oct; 113(42):11266-72. PubMed ID: 19788202
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A theoretical study on the thermal ring opening rearrangement of 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one: a case of two state reactivity.
    González-Navarrete P; Coto PB; Polo V; Andrés J
    Phys Chem Chem Phys; 2009 Sep; 11(33):7189-96. PubMed ID: 19672528
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Theoretical study of thermal spin transition between the singlet state and the quintet state in the [Fe(2-picolylamine)(3)](2+) spin crossover system.
    Shiota Y; Sato D; Juhász G; Yoshizawa K
    J Phys Chem A; 2010 May; 114(18):5862-9. PubMed ID: 20405889
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Excited states of thiophene: ring opening as deactivation mechanism.
    Salzmann S; Kleinschmidt M; Tatchen J; Weinkauf R; Marian CM
    Phys Chem Chem Phys; 2008 Jan; 10(3):380-92. PubMed ID: 18174980
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB; Turney JM; Richardson NA; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2006 Sep; 125(10):104306. PubMed ID: 16999525
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular dynamics investigations of ozone on an ab initio potential energy surface with the utilization of pattern-recognition neural network for accurate determination of product formation.
    Le HM; Dinh TS; Le HV
    J Phys Chem A; 2011 Oct; 115(40):10862-70. PubMed ID: 21888438
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Unraveling the dynamics of the C(3P,1D) + C2H2 reactions by the crossed molecular beam scattering technique.
    Leonori F; Petrucci R; Segoloni E; Bergeat A; Hickson KM; Balucani N; Casavecchia P
    J Phys Chem A; 2008 Feb; 112(7):1363-79. PubMed ID: 18229899
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab initio study of the electron transfer in an ionized stacked complex of guanines.
    Cauët E; Liévin J
    J Phys Chem A; 2009 Sep; 113(36):9881-90. PubMed ID: 19681582
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Characterization of ground and low-lying excited states of CoO4: a combined matrix isolation and DFT study.
    Danset D; Alikhani ME; Manceron L
    J Phys Chem A; 2005 Jan; 109(1):105-14. PubMed ID: 16839094
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular dynamics investigations of the dissociation of SiO2 on an ab initio potential energy surface obtained using neural network methods.
    Agrawal PM; Raff LM; Hagan MT; Komanduri R
    J Chem Phys; 2006 Apr; 124(13):134306. PubMed ID: 16613454
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide units.
    Indelli MT; Carli S; Ghirotti M; Chiorboli C; Ravaglia M; Garavelli M; Scandola F
    J Am Chem Soc; 2008 Jun; 130(23):7286-99. PubMed ID: 18479107
    [TBL] [Abstract][Full Text] [Related]  

  • 13. DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site.
    Bertini L; Greco C; De Gioia L; Fantucci P
    J Phys Chem A; 2009 May; 113(19):5657-70. PubMed ID: 19378958
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Spin-forbidden ligand binding to the ferrous-heme group: ab initio and DFT studies.
    Strickland N; Harvey JN
    J Phys Chem B; 2007 Feb; 111(4):841-52. PubMed ID: 17249828
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Evidence for excited spin-orbit state reaction dynamics in F+H2: theory and experiment.
    Lique F; Alexander MH; Li G; Werner HJ; Nizkorodov SA; Harper WW; Nesbitt DJ
    J Chem Phys; 2008 Feb; 128(8):084313. PubMed ID: 18315052
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A direct method for locating minimum-energy crossing points (MECPs) in spin-forbidden transitions and nonadiabatic reactions.
    Chachiyo T; Rodriguez JH
    J Chem Phys; 2005 Sep; 123(9):94711. PubMed ID: 16164366
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study.
    Perun S; Tatchen J; Marian CM
    Chemphyschem; 2008 Feb; 9(2):282-92. PubMed ID: 18189251
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Singlet and triplet potential surfaces for the O2+C2H4 reaction.
    Park K; West A; Raheja E; Sellner B; Lischka H; Windus TL; Hase WL
    J Chem Phys; 2010 Nov; 133(18):184306. PubMed ID: 21073222
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Collision energy dependence of the O(1D) + HCl --> OH + Cl(2P) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces.
    Kohguchi H; Suzuki T; Nanbu S; Ishida T; Mil'nikov GV; Oloyede P; Nakamura H
    J Phys Chem A; 2008 Feb; 112(5):818-25. PubMed ID: 18189375
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.