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 *

115 related articles for article (PubMed ID: 31038947)

  • 21. Evaluation of Matrix Elements Using Diffusion Monte Carlo Wave Functions.
    Lee VGM; Madison LR; McCoy AB
    J Phys Chem A; 2019 May; 123(20):4370-4378. PubMed ID: 31021632
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Photodissociation of FONO: an excited state nonadiabatic dynamics study.
    Hilal AR; Hilal R
    J Mol Model; 2017 Mar; 23(3):77. PubMed ID: 28204944
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Nonadiabatic reaction of energetic molecules.
    Bhattacharya A; Guo Y; Bernstein ER
    Acc Chem Res; 2010 Dec; 43(12):1476-85. PubMed ID: 20931955
    [TBL] [Abstract][Full Text] [Related]  

  • 24. First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance.
    Send R; Furche F
    J Chem Phys; 2010 Jan; 132(4):044107. PubMed ID: 20113019
    [TBL] [Abstract][Full Text] [Related]  

  • 25. An efficient implementation of semiempirical quantum-chemical orthogonalization-corrected methods for excited-state dynamics.
    Liu J; Thiel W
    J Chem Phys; 2018 Apr; 148(15):154103. PubMed ID: 29679961
    [TBL] [Abstract][Full Text] [Related]  

  • 26. An efficient and near linear scaling pair natural orbital based local coupled cluster method.
    Riplinger C; Neese F
    J Chem Phys; 2013 Jan; 138(3):034106. PubMed ID: 23343267
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis↔Trans Azobenzene Photoisomerization.
    Yue L; Yu L; Xu C; Lei Y; Liu Y; Zhu C
    Chemphyschem; 2017 May; 18(10):1274-1287. PubMed ID: 28213950
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework.
    Sisto A; Glowacki DR; Martinez TJ
    Acc Chem Res; 2014 Sep; 47(9):2857-66. PubMed ID: 25186064
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials.
    Nelson T; Fernandez-Alberti S; Roitberg AE; Tretiak S
    Acc Chem Res; 2014 Apr; 47(4):1155-64. PubMed ID: 24673100
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Nonadiabatic Car-Parrinello molecular dynamics.
    Doltsinis NL; Marx D
    Phys Rev Lett; 2002 Apr; 88(16):166402. PubMed ID: 11955242
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method.
    Chen Z; Chen X; Wu W
    J Chem Phys; 2013 Apr; 138(16):164120. PubMed ID: 23635124
    [TBL] [Abstract][Full Text] [Related]  

  • 32. An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitals.
    Subotnik JE; Shao Y; Liang W; Head-Gordon M
    J Chem Phys; 2004 Nov; 121(19):9220-9. PubMed ID: 15538842
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Computation of determinant expansion coefficients within the graphically contracted function method.
    Gidofalvi G; Shepard R
    J Comput Chem; 2009 Nov; 30(15):2414-9. PubMed ID: 19360796
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.
    Plötner J; Tozer DJ; Dreuw A
    J Chem Theory Comput; 2010 Aug; 6(8):2315-24. PubMed ID: 26613488
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 1. Full configuration interaction (CI) excited-state relaxation dynamics of hydrated dielectrons.
    Larsen RE; Schwartz BJ
    J Phys Chem B; 2006 May; 110(19):9681-91. PubMed ID: 16686519
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules.
    Sugisaki K; Yamamoto S; Nakazawa S; Toyota K; Sato K; Shiomi D; Takui T
    J Phys Chem A; 2016 Aug; 120(32):6459-66. PubMed ID: 27499026
    [TBL] [Abstract][Full Text] [Related]  

  • 37. An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications.
    Du L; Lan Z
    J Chem Theory Comput; 2015 Apr; 11(4):1360-74. PubMed ID: 26574348
    [TBL] [Abstract][Full Text] [Related]  

  • 38. A fast and efficient algorithm for Slater determinant updates in quantum Monte Carlo simulations.
    Nukala PK; Kent PR
    J Chem Phys; 2009 May; 130(20):204105. PubMed ID: 19485435
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Quantum fluctuation of electronic wave-packet dynamics coupled with classical nuclear motions.
    Amano M; Takatsuka K
    J Chem Phys; 2005 Feb; 122(8):84113. PubMed ID: 15836026
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Response calculations based on an independent particle system with the exact one-particle density matrix: excitation energies.
    Giesbertz KJ; Gritsenko OV; Baerends EJ
    J Chem Phys; 2012 Mar; 136(9):094104. PubMed ID: 22401426
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.