230 related articles for article (PubMed ID: 15473807)
1. On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge.
Masia M; Probst M; Rey R
J Chem Phys; 2004 Oct; 121(15):7362-78. PubMed ID: 15473807
[TBL] [Abstract][Full Text] [Related]
2. On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation.
Masia M; Probst M; Rey R
J Chem Phys; 2005 Oct; 123(16):164505. PubMed ID: 16268710
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems.
Chelli R; Barducci A; Bellucci L; Schettino V; Procacci P
J Chem Phys; 2005 Nov; 123(19):194109. PubMed ID: 16321078
[TBL] [Abstract][Full Text] [Related]
5. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
Lin H; Truhlar DG
J Phys Chem A; 2005 May; 109(17):3991-4004. PubMed ID: 16833721
[TBL] [Abstract][Full Text] [Related]
6. Charge-on-spring polarizable water models revisited: from water clusters to liquid water to ice.
Yu H; van Gunsteren WF
J Chem Phys; 2004 Nov; 121(19):9549-64. PubMed ID: 15538877
[TBL] [Abstract][Full Text] [Related]
7. Polarization of water in the first hydration shell of K+ and Ca2+ ions.
Bucher D; Kuyucak S
J Phys Chem B; 2008 Sep; 112(35):10786-90. PubMed ID: 18698721
[TBL] [Abstract][Full Text] [Related]
8. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
[TBL] [Abstract][Full Text] [Related]
9. Pair interaction potentials with explicit polarization for molecular dynamics simulations of La(3+) in bulk water.
Duvail M; Souaille M; Spezia R; Cartailler T; Vitorge P
J Chem Phys; 2007 Jul; 127(3):034503. PubMed ID: 17655444
[TBL] [Abstract][Full Text] [Related]
10. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
Patel SA; Brooks CL
J Chem Phys; 2006 May; 124(20):204706. PubMed ID: 16774363
[TBL] [Abstract][Full Text] [Related]
11. Energy decomposition in molecular complexes: implications for the treatment of polarization in molecular simulations.
Curutchet C; Bofill JM; Hernández B; Orozco M; Luque FJ
J Comput Chem; 2003 Jul; 24(10):1263-75. PubMed ID: 12820134
[TBL] [Abstract][Full Text] [Related]
12. Molecular dynamics study of polarizable point dipole models for molten sodium iodide.
Alcaraz O; Bitrián V; Trullàs J
J Chem Phys; 2007 Oct; 127(15):154508. PubMed ID: 17949174
[TBL] [Abstract][Full Text] [Related]
13. Ab initio based polarizable force field parametrization.
Masia M
J Chem Phys; 2008 May; 128(18):184107. PubMed ID: 18532799
[TBL] [Abstract][Full Text] [Related]
14. An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensities.
Haiduke RL; Bruns RE
J Phys Chem A; 2005 Mar; 109(11):2680-8. PubMed ID: 16833574
[TBL] [Abstract][Full Text] [Related]
15. Study on structures and properties of ammonia clusters (NH3)n (n=1-5) and liquid ammonia in terms of ab initio method and atom-bond electronegativity equalization method ammonia-8P fluctuating charge potential model.
Yu L; Yang ZZ
J Chem Phys; 2010 May; 132(17):174109. PubMed ID: 20459158
[TBL] [Abstract][Full Text] [Related]
16. Hydrogen bonding and induced dipole moments in water: predictions from the Gaussian charge polarizable model and Car-Parrinello molecular dynamics.
Dyer PJ; Cummings PT
J Chem Phys; 2006 Oct; 125(14):144519. PubMed ID: 17042621
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Gradients of the polarization energy in the effective fragment potential method.
Li H; Netzloff HM; Gordon MS
J Chem Phys; 2006 Nov; 125(19):194103. PubMed ID: 17129085
[TBL] [Abstract][Full Text] [Related]
19. Classical polarization in hybrid QM/MM methods.
Illingworth CJ; Gooding SR; Winn PJ; Jones GA; Ferenczy GG; Reynolds CA
J Phys Chem A; 2006 May; 110(20):6487-97. PubMed ID: 16706406
[TBL] [Abstract][Full Text] [Related]
20. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
Warren GL; Patel S
J Chem Phys; 2007 Aug; 127(6):064509. PubMed ID: 17705614
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
