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 *

219 related articles for article (PubMed ID: 36735906)

  • 21. Determination of spin Hamiltonians from projected single reference configuration interaction calculations. I. Spin 1/2 systems.
    Monari A; Maynau D; Malrieu JP
    J Chem Phys; 2010 Jul; 133(4):044106. PubMed ID: 20687632
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems.
    Li Manni G; Dobrautz W; Alavi A
    J Chem Theory Comput; 2020 Apr; 16(4):2202-2215. PubMed ID: 32053374
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Exact Mapping from Many-Spin Hamiltonians to Giant-Spin Hamiltonians.
    Ghassemi Tabrizi S; Arbuznikov AV; Kaupp M
    Chemistry; 2018 Mar; 24(18):4689-4702. PubMed ID: 29345739
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Hyper Open-Shell Excited Spin States of Transition-Metal Compounds: FeF
    Verma P; Varga Z; Truhlar DG
    J Phys Chem A; 2018 Mar; 122(9):2563-2579. PubMed ID: 29420033
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Atomic spectral methods for molecular electronic structure calculations.
    Langhoff PW; Boatz JA; Hinde RJ; Sheehy JA
    J Chem Phys; 2004 Nov; 121(19):9323-42. PubMed ID: 15538852
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.
    Herbert JM; Zhang X; Morrison AF; Liu J
    Acc Chem Res; 2016 May; 49(5):931-41. PubMed ID: 27100899
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Multireference equation-of-motion coupled cluster theory.
    Datta D; Nooijen M
    J Chem Phys; 2012 Nov; 137(20):204107. PubMed ID: 23205981
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster.
    Kumar Paul A; Sardar S; Sarkar B; Adhikari S
    J Chem Phys; 2009 Sep; 131(12):124312. PubMed ID: 19791886
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Orbital Configuration of the Valence Electrons, Ligand Field Symmetry, and Manganese Oxidation States of the Photosynthetic Water Oxidizing Complex: Analysis of the S(2) State Multiline EPR Signals.
    Zheng M; Dismukes GC
    Inorg Chem; 1996 May; 35(11):3307-3319. PubMed ID: 11666533
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Approximate Multiconfigurational Treatment of Spin-Coupled Metal Complexes.
    Arantes GM; Taylor PR
    J Chem Theory Comput; 2010 Jul; 6(7):1981-9. PubMed ID: 26615927
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Assigning the Cerium Oxidation State for CH2CeF2 and OCeF2 Based on Multireference Wave Function Analysis.
    Mooßen O; Dolg M
    J Phys Chem A; 2016 Jun; 120(22):3966-74. PubMed ID: 27203481
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)
    Li Manni G; Dobrautz W; Bogdanov NA; Guther K; Alavi A
    J Phys Chem A; 2021 Jun; 125(22):4727-4740. PubMed ID: 34048648
    [TBL] [Abstract][Full Text] [Related]  

  • 34. 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]  

  • 35. Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework: an efficient and novel approach.
    Bhattacharya D; Vaval N; Pal S
    J Chem Phys; 2013 Mar; 138(9):094108. PubMed ID: 23485278
    [TBL] [Abstract][Full Text] [Related]  

  • 36. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy.
    Roemelt M; Maganas D; DeBeer S; Neese F
    J Chem Phys; 2013 May; 138(20):204101. PubMed ID: 23742448
    [TBL] [Abstract][Full Text] [Related]  

  • 37. SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods.
    Bannwarth C; Martínez TJ
    J Chem Phys; 2023 Feb; 158(7):074109. PubMed ID: 36813714
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Electronic structure and spin coupling of the manganese dimer: The state of the art of ab initio approach.
    Buchachenko AA; Chałasiński G; Szcześniak MM
    J Chem Phys; 2010 Jan; 132(2):024312. PubMed ID: 20095679
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Development of a relaxation-inducing cluster expansion formalism for treating strong relaxation and correlation effects.
    Jana D; Mukherjee D
    J Chem Phys; 2005 Jun; 122(23):234101. PubMed ID: 16008424
    [TBL] [Abstract][Full Text] [Related]  

  • 40. The electronic couplings in electron transfer and excitation energy transfer.
    Hsu CP
    Acc Chem Res; 2009 Apr; 42(4):509-18. PubMed ID: 19215069
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.