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 *

304 related articles for article (PubMed ID: 26589164)

  • 21. Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization.
    Saitow M; Kurashige Y; Yanai T
    J Chem Theory Comput; 2015 Nov; 11(11):5120-31. PubMed ID: 26574310
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study.
    Shirai S; Kurashige Y; Yanai T
    J Chem Theory Comput; 2016 May; 12(5):2366-72. PubMed ID: 27082241
    [TBL] [Abstract][Full Text] [Related]  

  • 23. A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces.
    Guo S; Li Z; Chan GK
    J Chem Theory Comput; 2018 Aug; 14(8):4063-4071. PubMed ID: 29927592
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States.
    Yanai T; Saitow M; Xiong XG; Chalupský J; Kurashige Y; Guo S; Sharma S
    J Chem Theory Comput; 2017 Oct; 13(10):4829-4840. PubMed ID: 28881132
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.
    Szefczyk B; Grabarek D; Walczak E; Andruniów T
    J Comput Chem; 2017 Jul; 38(20):1799-1810. PubMed ID: 28512740
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Photodecarbonylation mechanism of cyclopropenone in the gas phase: electronic structure calculation and AIMS dynamics simulation.
    Liu L; Xia S; Fang WH
    J Phys Chem A; 2014 Oct; 118(39):8977-85. PubMed ID: 24742337
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Multireference second order perturbation theory with a simplified treatment of dynamical correlation.
    Xu E; Zhao D; Li S
    J Chem Theory Comput; 2015 Oct; 11(10):4634-43. PubMed ID: 26574254
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave Function.
    Luo Z; Ma Y; Wang X; Ma H
    J Chem Theory Comput; 2018 Sep; 14(9):4747-4755. PubMed ID: 30052433
    [TBL] [Abstract][Full Text] [Related]  

  • 29. DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes.
    Wouters S; Van Speybroeck V; Van Neck D
    J Chem Phys; 2016 Aug; 145(5):054120. PubMed ID: 27497552
    [TBL] [Abstract][Full Text] [Related]  

  • 30. A CASSCF and CASPT2 study on the excited states of s-trans-formaldazine.
    Luo C; Duan XM; Liu JY; Li ZS
    J Phys Chem A; 2008 Sep; 112(38):8979-85. PubMed ID: 18759422
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.
    Chan GK; Keselman A; Nakatani N; Li Z; White SR
    J Chem Phys; 2016 Jul; 145(1):014102. PubMed ID: 27394094
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Efficient photochemical merocyanine-to-spiropyran ring closure mechanism through an extended conical intersection seam. A model CASSCF/CASPT2 study.
    Gómez I; Reguero M; Robb MA
    J Phys Chem A; 2006 Mar; 110(11):3986-91. PubMed ID: 16539421
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Electronic States of CoSi
    Tran VT
    J Phys Chem A; 2021 Jul; 125(26):5800-5810. PubMed ID: 34180239
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors.
    Roemelt M
    J Chem Phys; 2015 Jul; 143(4):044112. PubMed ID: 26233112
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Femtochemistry of Norrish type-I reactions: III. Highly excited ketones--theoretical.
    Diau EW; Kötting C; Sølling TI; Zewail AH
    Chemphyschem; 2002 Jan; 3(1):57-78. PubMed ID: 12465477
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Benchmarks for Electronically Excited States with CASSCF Methods.
    Helmich-Paris B
    J Chem Theory Comput; 2019 Jul; 15(7):4170-4179. PubMed ID: 31136706
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulations.
    Nakayama A; Harabuchi Y; Yamazaki S; Taketsugu T
    Phys Chem Chem Phys; 2013 Aug; 15(29):12322-39. PubMed ID: 23779067
    [TBL] [Abstract][Full Text] [Related]  

  • 38. CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene.
    Murakami A; Kobayashi T; Goldberg A; Nakamura S
    J Chem Phys; 2004 Jan; 120(3):1245-52. PubMed ID: 15268250
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Excited-state ring-opening mechanism of cyclic ketones: a MS-CASPT2//CASSCF study.
    Xia SH; Liu XY; Fang Q; Cui G
    J Phys Chem A; 2015 Apr; 119(15):3569-76. PubMed ID: 25807113
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Low-Lying Electromeric States in Chloro-Ligated Iron(IV)-Oxo Porphyrin as a Model for Compound I, Studied with Second-Order Perturbation Theory Based on Density Matrix Renormalization Group.
    Phung QM; Pierloot K
    J Chem Theory Comput; 2019 May; 15(5):3033-3043. PubMed ID: 30995039
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 16.