169 related articles for article (PubMed ID: 17299773)
1. Gaussian induced dipole polarization model.
Elking D; Darden T; Woods RJ
J Comput Chem; 2007 May; 28(7):1261-74. PubMed ID: 17299773
[TBL] [Abstract][Full Text] [Related]
2. Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization To Reproduce ab Initio Anisotropy.
Wang J; Cieplak P; Luo R; Duan Y
J Chem Theory Comput; 2019 Feb; 15(2):1146-1158. PubMed ID: 30645118
[TBL] [Abstract][Full Text] [Related]
3. Evaluation of Representations and Response Models for Polarizable Force Fields.
Li A; Voronin A; Fenley AT; Gilson MK
J Phys Chem B; 2016 Aug; 120(33):8668-84. PubMed ID: 27248842
[TBL] [Abstract][Full Text] [Related]
4. Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities.
Smalø HS; Astrand PO; Jensen L
J Chem Phys; 2009 Jul; 131(4):044101. PubMed ID: 19655831
[TBL] [Abstract][Full Text] [Related]
5. Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model.
Zhao S; Cieplak P; Duan Y; Luo R
J Chem Theory Comput; 2023 Feb; 19(3):924-941. PubMed ID: 36696564
[TBL] [Abstract][Full Text] [Related]
6. Atomic Polarizabilities for Interactive Dipole Induction Models.
Litman JM; Liu C; Ren P
J Chem Inf Model; 2022 Jan; 62(1):79-87. PubMed ID: 34962789
[TBL] [Abstract][Full Text] [Related]
7. Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioning.
Volkov A; Coppens P
J Comput Chem; 2004 May; 25(7):921-34. PubMed ID: 15027105
[TBL] [Abstract][Full Text] [Related]
8. Recipe of Polarized One-Electron Potential Optimization for Development of Polarizable Force Fields.
Nakagawa S; Mark P; Ågren H
J Chem Theory Comput; 2007 Nov; 3(6):1947-59. PubMed ID: 26636195
[TBL] [Abstract][Full Text] [Related]
9. The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.
Shi Y; Xia Z; Zhang J; Best R; Wu C; Ponder JW; Ren P
J Chem Theory Comput; 2013; 9(9):4046-4063. PubMed ID: 24163642
[TBL] [Abstract][Full Text] [Related]
10. On combining Thole's induced point dipole model with fixed charge distributions in molecular mechanics force fields.
Antila HS; Salonen E
J Comput Chem; 2015 Apr; 36(10):739-50. PubMed ID: 25753482
[TBL] [Abstract][Full Text] [Related]
11. Polarizable Molecular Block Model: Toward the Development of an Induced Dipole Force Field for DNA.
Nakagawa S; Kimura A; Okamoto Y
J Phys Chem B; 2022 Dec; 126(50):10646-10661. PubMed ID: 36512703
[TBL] [Abstract][Full Text] [Related]
12. Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability.
Holt A; Karlström G
J Comput Chem; 2008 Sep; 29(12):2033-8. PubMed ID: 18432620
[TBL] [Abstract][Full Text] [Related]
13. A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.
Elking DM; Perera L; Duke R; Darden T; Pedersen LG
J Comput Chem; 2011 Nov; 32(15):3283-95. PubMed ID: 21915883
[TBL] [Abstract][Full Text] [Related]
14. Bond-Dependent Thole Model for Polarizability and Spectroscopy.
DelloStritto M; Klein ML; Borguet E
J Phys Chem A; 2019 Jun; 123(25):5378-5387. PubMed ID: 31190544
[TBL] [Abstract][Full Text] [Related]
15. Calculations of static dipole polarizabilities of alkali dimers: prospects for alignment of ultracold molecules.
Deiglmayr J; Aymar M; Wester R; Weidemüller M; Dulieu O
J Chem Phys; 2008 Aug; 129(6):064309. PubMed ID: 18715071
[TBL] [Abstract][Full Text] [Related]
16. Distributed functional-group polarizabilities in polypeptides and peptide clusters toward accurate prediction of electro-optical properties of biomacromolecules.
Rodrigues JL; Ligorio RF; Krawczuk A; Diniz R; Dos Santos LHR
J Mol Model; 2023 Jan; 29(2):49. PubMed ID: 36662338
[TBL] [Abstract][Full Text] [Related]
17. A periodic charge-dipole electrostatic model: parametrization for silver slabs.
Bodrenko IV; Sierka M; Fabiano E; Della Sala F
J Chem Phys; 2012 Oct; 137(13):134702. PubMed ID: 23039605
[TBL] [Abstract][Full Text] [Related]
18. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
Jiang N; Ma J
J Phys Chem A; 2008 Oct; 112(40):9854-67. PubMed ID: 18788721
[TBL] [Abstract][Full Text] [Related]
19. A charge-dipole model for the static polarizability of nanostructures including aliphatic, olephinic, and aromatic systems.
Mayer A; Astrand PO
J Phys Chem A; 2008 Feb; 112(6):1277-85. PubMed ID: 18198848
[TBL] [Abstract][Full Text] [Related]
20. Electric potential invariants and ions-in-molecules effective potentials for molecular Rydberg states.
Coy SL; Grimes DD; Zhou Y; Field RW; Wong BM
J Chem Phys; 2016 Dec; 145(23):234301. PubMed ID: 27984864
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
