178 related articles for article (PubMed ID: 20222056)
1. A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
Holt A; Boström J; Karlström G; Lindh R
J Comput Chem; 2010 Jun; 31(8):1583-91. PubMed ID: 20222056
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Dynamical properties of the soft sticky dipole-quadrupole-octupole water model: a molecular dynamics study.
Chowdhuri S; Tan ML; Ichiye T
J Chem Phys; 2006 Oct; 125(14):144513. PubMed ID: 17042615
[TBL] [Abstract][Full Text] [Related]
5. Theoretical study on mesogenic core structures of nematic liquid crystalline compounds.
Matsushita T; Koseki S
J Phys Chem B; 2005 Jul; 109(28):13493-8. PubMed ID: 16852687
[TBL] [Abstract][Full Text] [Related]
6. Study of multipole contributions to the structure of water around ions in solution using the soft sticky dipole-quadrupole-octupole (SSDQO) model of water.
Tan ML; Lucan L; Ichiye T
J Chem Phys; 2006 May; 124(17):174505. PubMed ID: 16689581
[TBL] [Abstract][Full Text] [Related]
7. A new coarse-grained model for water: the importance of electrostatic interactions.
Wu Z; Cui Q; Yethiraj A
J Phys Chem B; 2010 Aug; 114(32):10524-9. PubMed ID: 20701383
[TBL] [Abstract][Full Text] [Related]
8. First-principles calculation of local atomic polarizabilities.
Lillestolen TC; Wheatley RJ
J Phys Chem A; 2007 Nov; 111(43):11141-6. PubMed ID: 17918806
[TBL] [Abstract][Full Text] [Related]
9. Soft sticky dipole-quadrupole-octupole potential energy function for liquid water: an approximate moment expansion.
Ichiye T; Tan ML
J Chem Phys; 2006 Apr; 124(13):134504. PubMed ID: 16613458
[TBL] [Abstract][Full Text] [Related]
10. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
Geerke DP; van Gunsteren WF
J Phys Chem B; 2007 Jun; 111(23):6425-36. PubMed ID: 17508737
[TBL] [Abstract][Full Text] [Related]
11. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Pai CC; Li AH; Chao SD
J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
12. Many-body force field models based solely on pairwise Coulomb screening do not simultaneously reproduce correct gas-phase and condensed-phase polarizability limits.
Giese TJ; York DM
J Chem Phys; 2004 Jun; 120(21):9903-6. PubMed ID: 15268007
[TBL] [Abstract][Full Text] [Related]
13. Comparison of frozen-density embedding and discrete reaction field solvent models for molecular properties.
Jacob CR; Neugebauer J; Jensen L; Visscher L
Phys Chem Chem Phys; 2006 May; 8(20):2349-59. PubMed ID: 16710483
[TBL] [Abstract][Full Text] [Related]
14. Correlations of the stability, static dipole polarizabilities, and electronic properties of yttrium clusters.
Li XB; Wang HY; Lv R; Wu WD; Luo JS; Tang YJ
J Phys Chem A; 2009 Sep; 113(38):10335-42. PubMed ID: 19722531
[TBL] [Abstract][Full Text] [Related]
15. Electrostatic energy in the effective fragment potential method: theory and application to benzene dimer.
Slipchenko LV; Gordon MS
J Comput Chem; 2007 Jan; 28(1):276-91. PubMed ID: 17143863
[TBL] [Abstract][Full Text] [Related]
16. Arene-cation interactions of positive quadrupole moment aromatics and arene-anion interactions of negative quadrupole moment aromatics.
Clements A; Lewis M
J Phys Chem A; 2006 Nov; 110(46):12705-10. PubMed ID: 17107123
[TBL] [Abstract][Full Text] [Related]
17. Pi-pi interaction in pyridine.
Mishra BK; Sathyamurthy N
J Phys Chem A; 2005 Jan; 109(1):6-8. PubMed ID: 16839083
[TBL] [Abstract][Full Text] [Related]
18. Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic moments.
Pilmé J; Piquemal JP
J Comput Chem; 2008 Jul; 29(9):1440-9. PubMed ID: 18293309
[TBL] [Abstract][Full Text] [Related]
19. Si(3P) + OH(X2Pi) interaction: long-range multipolar potentials of the eighteen spin-orbit states.
Bussery-Honvault B; Dayou F
J Phys Chem A; 2009 Dec; 113(52):14961-8. PubMed ID: 20028176
[TBL] [Abstract][Full Text] [Related]
20. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
Chao SW; Li AH; Chao SD
J Comput Chem; 2009 Sep; 30(12):1839-49. PubMed ID: 19090563
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]