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 *

256 related articles for article (PubMed ID: 27782626)

  • 1. Relativistic state-specific multireference coupled cluster theory description for bond-breaking energy surfaces.
    Ghosh A; Chaudhuri RK; Chattopadhyay S
    J Chem Phys; 2016 Sep; 145(12):124303. PubMed ID: 27782626
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: Application to the ground state single-bond dissociation.
    Ghosh A; Chaudhuri RK; Chattopadhyay S; Mahapatra US
    J Comput Chem; 2015 Oct; 36(26):1954-72. PubMed ID: 26272333
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Four-Component Relativistic State-Specific Multireference Perturbation Theory with a Simplified Treatment of Static Correlation.
    Ghosh A; Sinha Ray S; Chaudhuri RK; Chattopadhyay S
    J Phys Chem A; 2017 Feb; 121(7):1487-1501. PubMed ID: 28112937
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: the formulation and test applications for single bond breaking.
    Fang T; Li S
    J Chem Phys; 2007 Nov; 127(20):204108. PubMed ID: 18052420
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Automated generation of coupled-cluster diagrams: implementation in the multireference state-specific coupled-cluster approach with the complete-active-space reference.
    Lyakh DI; Ivanov VV; Adamowicz L
    J Chem Phys; 2005 Jan; 122(2):024108. PubMed ID: 15638573
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian.
    Abe M; Nakajima T; Hirao K
    J Chem Phys; 2006 Dec; 125(23):234110. PubMed ID: 17190550
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The electronic structure of the triiodide ion from relativistic correlated calculations: a comparison of different methodologies.
    Gomes AS; Visscher L; Bolvin H; Saue T; Knecht S; Fleig T; Eliav E
    J Chem Phys; 2010 Aug; 133(6):064305. PubMed ID: 20707568
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the formula for general active spaces and its applications for multibond breaking systems.
    Fang T; Shen J; Li S
    J Chem Phys; 2008 Jun; 128(22):224107. PubMed ID: 18554006
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Investigation of Multiple-Bond Dissociation Using Brillouin-Wigner Perturbation with Improved Virtual Orbitals.
    Chattopadhyay S
    J Phys Chem A; 2020 Feb; 124(7):1444-1463. PubMed ID: 31976672
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Study of the Ground State Dissociation of Diatomic Molecular Systems Using State-Specific Multireference Perturbation Theory: A Brillouin-Wigner Scheme.
    Sinha Mahapatra U; Chattopadhyay S; Chaudhuri RK
    J Chem Theory Comput; 2010 Mar; 6(3):662-82. PubMed ID: 26613298
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Dissociation of ground and nsigma* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster extensivity corrections.
    Lucena JR; Ventura E; do Monte SA; Araújo RC; Ramos MN; Fausto R
    J Chem Phys; 2007 Oct; 127(16):164320. PubMed ID: 17979351
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Potential energy surface studies via a single root multireference coupled cluster theory.
    Mahapatra US; Chattopadhyay S
    J Chem Phys; 2010 Aug; 133(7):074102. PubMed ID: 20726630
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory.
    Chaudhuri RK; Freed KF; Chattopadhyay S; Sinha Mahapatra U
    J Chem Phys; 2008 Apr; 128(14):144304. PubMed ID: 18412442
    [TBL] [Abstract][Full Text] [Related]  

  • 14. State-specific multireference perturbation theory with improved virtual orbitals: taming the ground state of F2 , Be2, and N2.
    Chattopadhyay S; Chaudhuri RK; Mahapatra US
    J Comput Chem; 2015 May; 36(12):907-25. PubMed ID: 25740004
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.
    Oyeyemi VB; Krisiloff DB; Keith JA; Libisch F; Pavone M; Carter EA
    J Chem Phys; 2014 Jan; 140(4):044317. PubMed ID: 25669533
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure.
    Sinha Ray S; Ghosh P; Chaudhuri RK; Chattopadhyay S
    J Chem Phys; 2017 Feb; 146(6):064111. PubMed ID: 28201907
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Communication: Viewing the ground and excited electronic structures of platinum and its ion through the window of relativistic coupled cluster method.
    Sinha Ray S; Chaudhuri RK; Chattopadhyay S
    J Chem Phys; 2017 Jan; 146(1):011102. PubMed ID: 28063452
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections.
    Yuwono SH; Li RR; Zhang T; Surjuse KA; Valeev EF; Li X; Eugene DePrince A
    J Phys Chem A; 2024 Aug; 128(31):6521-6539. PubMed ID: 39074123
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theory.
    Datta D; Mukherjee D
    J Chem Phys; 2011 Feb; 134(5):054122. PubMed ID: 21303107
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Relativity-Induced Bonding Pattern Change in Coinage Metal Dimers M
    Li WL; Lu JB; Wang ZL; Hu HS; Li J
    Inorg Chem; 2018 May; 57(9):5499-5506. PubMed ID: 29687722
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.