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 *

172 related articles for article (PubMed ID: 19045082)

  • 1. Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies.
    Banik S; Pal S; Prasad MD
    J Chem Phys; 2008 Oct; 129(13):134111. PubMed ID: 19045082
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Vibrational multi-reference coupled cluster theory in bosonic representation.
    Banik S; Pal S; Prasad MD
    J Chem Phys; 2012 Sep; 137(11):114108. PubMed ID: 22998250
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Calculation of excited-state properties using general coupled-cluster and configuration-interaction models.
    Kállay M; Gauss J
    J Chem Phys; 2004 Nov; 121(19):9257-69. PubMed ID: 15538846
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Vibrational excitation energies from vibrational coupled cluster response theory.
    Seidler P; Christiansen O
    J Chem Phys; 2007 May; 126(20):204101. PubMed ID: 17552748
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibrational coupled cluster response theory: a general implementation.
    Seidler P; Sparta M; Christiansen O
    J Chem Phys; 2011 Feb; 134(5):054119. PubMed ID: 21303104
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Vibrational coupled cluster theory with full two-mode and approximate three-mode couplings: the VCC[2pt3] model.
    Seidler P; Matito E; Christiansen O
    J Chem Phys; 2009 Jul; 131(3):034115. PubMed ID: 19624189
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Calculation of Dipole Transition Matrix Elements and Expectation Values by Vibrational Coupled Cluster Method.
    Banik S; Pal S; Prasad MD
    J Chem Theory Comput; 2010 Oct; 6(10):3198-204. PubMed ID: 26616781
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Vibrational structure theory: new vibrational wave function methods for calculation of anharmonic vibrational energies and vibrational contributions to molecular properties.
    Christiansen O
    Phys Chem Chem Phys; 2007 Jun; 9(23):2942-53. PubMed ID: 17551617
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Vibrational coupled cluster theory.
    Christiansen O
    J Chem Phys; 2004 Feb; 120(5):2149-59. PubMed ID: 15268353
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Towards fast computations of correlated vibrational wave functions: vibrational coupled cluster response excitation energies at the two-mode coupling level.
    Seidler P; Hansen MB; Christiansen O
    J Chem Phys; 2008 Apr; 128(15):154113. PubMed ID: 18433196
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Coupled-cluster response theory with linear-r12 corrections: the CC2-R12 model for excitation energies.
    Fliegl H; Hättig C; Klopper W
    J Chem Phys; 2006 Jan; 124(4):044112. PubMed ID: 16460154
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.
    Fang T; Shen J; Li S
    J Chem Phys; 2008 Dec; 129(23):234106. PubMed ID: 19102525
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Automatic generation of force fields and property surfaces for use in variational vibrational calculations of anharmonic vibrational energies and zero-point vibrational averaged properties.
    Kongsted J; Christiansen O
    J Chem Phys; 2006 Sep; 125(12):124108. PubMed ID: 17014167
    [TBL] [Abstract][Full Text] [Related]  

  • 14. One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of singles and doubles coupled cluster theory.
    Korona T; Jeziorski B
    J Chem Phys; 2006 Nov; 125(18):184109. PubMed ID: 17115740
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Linear response functions for a vibrational configuration interaction state.
    Christiansen O; Kongsted J; Paterson MJ; Luis JM
    J Chem Phys; 2006 Dec; 125(21):214309. PubMed ID: 17166023
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone.
    Grein F
    J Chem Phys; 2009 Mar; 130(12):124118. PubMed ID: 19334819
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference.
    Ivanov VV; Adamowicz L; Lyakh DI
    J Chem Phys; 2006 May; 124(18):184302. PubMed ID: 16709101
    [TBL] [Abstract][Full Text] [Related]  

  • 18. High-order excitations in state-universal and state-specific multireference coupled cluster theories: model systems.
    Evangelista FA; Allen WD; Schaefer HF
    J Chem Phys; 2006 Oct; 125(15):154113. PubMed ID: 17059245
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structure and excited-state dynamics of anthracene: ultrahigh-resolution spectroscopy and theoretical calculation.
    Baba M; Saitoh M; Taguma K; Shinohara K; Yoshida K; Semba Y; Kasahara S; Nakayama N; Goto H; Ishimoto T; Nagashima U
    J Chem Phys; 2009 Apr; 130(13):134315. PubMed ID: 19355740
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum.
    Vendrell O; Brill M; Gatti F; Lauvergnat D; Meyer HD
    J Chem Phys; 2009 Jun; 130(23):234305. PubMed ID: 19548725
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.