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 *

220 related articles for article (PubMed ID: 32899346)

  • 1. Interacting Quantum Atoms-A Review.
    Guevara-Vela JM; Francisco E; Rocha-Rinza T; Martín Pendás Á
    Molecules; 2020 Sep; 25(17):. PubMed ID: 32899346
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Energetics of Electron Pairs in Electrophilic Aromatic Substitutions.
    Munárriz J; Gallegos M; Contreras-García J; Martín Pendás Á
    Molecules; 2021 Jan; 26(2):. PubMed ID: 33478091
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach.
    Gimferrer M; Danés S; Andrada DM; Salvador P
    J Chem Theory Comput; 2023 Jun; 19(12):3469-3485. PubMed ID: 37246911
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Physical nature of interactions in Zn(II) complexes with 2,2'-bipyridyl: quantum theory of atoms in molecules (QTAIM), interacting quantum atoms (IQA), noncovalent interactions (NCI), and extended transition state coupled with natural orbitals for chemical valence (ETS-NOCV) comparative studies.
    Cukrowski I; de Lange JH; Mitoraj M
    J Phys Chem A; 2014 Jan; 118(3):623-37. PubMed ID: 24377828
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The nature of the hydrogen bond: a synthesis from the interacting quantum atoms picture.
    Martín Pendás A; Blanco MA; Francisco E
    J Chem Phys; 2006 Nov; 125(18):184112. PubMed ID: 17115743
    [TBL] [Abstract][Full Text] [Related]  

  • 6. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation.
    Alkorta I; Silva AF; Popelier PLA
    Molecules; 2020 Jun; 25(11):. PubMed ID: 32526931
    [TBL] [Abstract][Full Text] [Related]  

  • 7. QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach.
    López R; Díaz N; Francisco E; Martín-Pendás A; Suárez D
    J Chem Inf Model; 2022 Mar; 62(6):1510-1524. PubMed ID: 35212531
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.
    Holguín-Gallego FJ; Chávez-Calvillo R; García-Revilla M; Francisco E; Pendás ÁM; Rocha-Rinza T
    J Comput Chem; 2016 Jul; 37(19):1753-65. PubMed ID: 27237084
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Energetic Origins of Force Constants: Adding a New Dimension to the Hessian Matrix via Interacting Quantum Atoms.
    Duarte LJ; Bruns RE
    J Phys Chem A; 2022 Dec; 126(48):8945-8954. PubMed ID: 36417362
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Partition of electronic excitation energies: the IQA/EOM-CCSD method.
    Fernández-Alarcón A; Casals-Sainz JL; Guevara-Vela JM; Costales A; Francisco E; Martín Pendás Á; Rocha-Rinza T
    Phys Chem Chem Phys; 2019 Jun; 21(25):13428-13439. PubMed ID: 30942218
    [TBL] [Abstract][Full Text] [Related]  

  • 11. On the non-classical contribution in lone-pair-π interaction: IQA perspective.
    Badri Z; Foroutan-Nejad C; Kozelka J; Marek R
    Phys Chem Chem Phys; 2015 Oct; 17(39):26183-90. PubMed ID: 26381704
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions.
    Jiménez-Grávalos F; Díaz N; Francisco E; Martín-Pendás Á; Suárez D
    Chemphyschem; 2018 Dec; 19(24):3425-3435. PubMed ID: 30358054
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Binding energies of first row diatomics in the light of the interacting quantum atoms approach.
    Pendás AM; Francisco E; Blanco MA
    J Phys Chem A; 2006 Nov; 110(47):12864-9. PubMed ID: 17125302
    [TBL] [Abstract][Full Text] [Related]  

  • 14. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect.
    Khan D; Duarte LJ; Popelier PLA
    Molecules; 2022 Aug; 27(15):. PubMed ID: 35956954
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energy.
    Casals-Sainz JL; Guevara-Vela JM; Francisco E; Rocha-Rinza T; Martín Pendás Á
    J Comput Chem; 2020 May; 41(13):1234-1241. PubMed ID: 32058617
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A fast approximate extension of the interacting quantum atoms energy decomposition to excited states.
    Jara-Cortés J; Matta CF; Hernández-Trujillo J
    J Comput Chem; 2022 Jun; 43(16):1068-1078. PubMed ID: 35470908
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Aza-Michael Addition in Explicit Solvent: A Relative Energy Gradient-Interacting Quantum Atoms Study.
    Cador A; Tognetti V; Joubert L; Popelier PLA
    Chemphyschem; 2023 Dec; 24(24):e202300529. PubMed ID: 37728125
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Steric repulsions, rotation barriers, and stereoelectronic effects: a real space perspective.
    Pendás AM; Blanco MA; Francisco E
    J Comput Chem; 2009 Jan; 30(1):98-109. PubMed ID: 18536054
    [TBL] [Abstract][Full Text] [Related]  

  • 19. MP2-IQA: upscaling the analysis of topologically partitioned electron correlation.
    Silva AF; Popelier PLA
    J Mol Model; 2018 Jul; 24(8):201. PubMed ID: 29995194
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Implementation of the interacting quantum atom energy decomposition using the CASPT2 method.
    Jara-Cortés J; Leal-Sánchez E; Francisco E; Pérez-Pimienta JA; Martín Pendás Á; Hernández-Trujillo J
    Phys Chem Chem Phys; 2021 Dec; 23(48):27508-27519. PubMed ID: 34874377
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.