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 *

275 related articles for article (PubMed ID: 19894938)

  • 1. Time-dependent multiconfiguration theory for describing molecular dynamics in diatomic-like molecules.
    Kato T; Yamanouchi K
    J Chem Phys; 2009 Oct; 131(16):164118. PubMed ID: 19894938
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Time-dependent multiconfiguration theory for electronic dynamics of molecules in intense laser fields: a description in terms of numerical orbital functions.
    Kato T; Kono H
    J Chem Phys; 2008 May; 128(18):184102. PubMed ID: 18532794
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Nonadiabatic electron wavepacket dynamics of molecules in an intense optical field: an ab initio electronic state study.
    Yonehara T; Takatsuka K
    J Chem Phys; 2008 Apr; 128(15):154104. PubMed ID: 18433187
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Non-Born-Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions.
    Yonehara T; Takatsuka K
    J Chem Phys; 2010 Jun; 132(24):244102. PubMed ID: 20590176
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The dynamics of highly excited electronic systems: applications of the electron force field.
    Su JT; Goddard WA
    J Chem Phys; 2009 Dec; 131(24):244501. PubMed ID: 20059073
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Non-Born-Oppenheimer treatment of the H2 Hookean molecule.
    Ludeña EV; Lopez X; Ugalde JM
    J Chem Phys; 2005 Jul; 123(2):24102. PubMed ID: 16050736
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.
    Swalina C; Pak MV; Chakraborty A; Hammes-Schiffer S
    J Phys Chem A; 2006 Aug; 110(33):9983-7. PubMed ID: 16913669
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Nonvariational time-dependent multiconfiguration self-consistent field equations for electronic dynamics in laser-driven molecules.
    Nguyen-Dang TT; Peters M; Wang SM; Sinelnikov E; Dion F
    J Chem Phys; 2007 Nov; 127(17):174107. PubMed ID: 17994807
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Non-Born-Oppenheimer electronic and nuclear wavepacket dynamics.
    Yonehara T; Takahashi S; Takatsuka K
    J Chem Phys; 2009 Jun; 130(21):214113. PubMed ID: 19508062
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer.
    Swalina C; Hammes-Schiffer S
    J Phys Chem A; 2005 Nov; 109(45):10410-7. PubMed ID: 16833338
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular dynamics with time dependent quantum Monte Carlo.
    Christov IP
    J Chem Phys; 2008 Dec; 129(21):214107. PubMed ID: 19063544
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Nonadiabatic chemical dynamics in an intense laser field: electronic wave packet coupled with classical nuclear motions.
    Yagi K; Takatsuka K
    J Chem Phys; 2005 Dec; 123(22):224103. PubMed ID: 16375466
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Description of molecular dynamics in intense laser fields by the time-dependent adiabatic state approach: application to simultaneous two-bond dissociation of CO2 and its control.
    Sato Y; Kono H; Koseki S; Fujimura Y
    J Am Chem Soc; 2003 Jul; 125(26):8019-31. PubMed ID: 12823025
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Numerically exact quantum dynamics for indistinguishable particles: the multilayer multiconfiguration time-dependent Hartree theory in second quantization representation.
    Wang H; Thoss M
    J Chem Phys; 2009 Jul; 131(2):024114. PubMed ID: 19603977
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Exploring dynamical electron theory beyond the Born-Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field.
    Takatsuka K; Yonehara T
    Phys Chem Chem Phys; 2011 Mar; 13(11):4987-5016. PubMed ID: 21321712
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles.
    Sindelka M; Moiseyev N
    J Phys Chem A; 2006 Apr; 110(16):5561-71. PubMed ID: 16623490
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systems.
    Iyengar SS; Jakowski J
    J Chem Phys; 2005 Mar; 122(11):114105. PubMed ID: 15836199
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory.
    Sumner I; Iyengar SS
    J Chem Phys; 2008 Aug; 129(5):054109. PubMed ID: 18698890
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. I. Extreme multielectron ionization.
    Last I; Jortner J
    J Chem Phys; 2004 Jan; 120(3):1336-47. PubMed ID: 15268259
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.