150 related articles for article (PubMed ID: 29159816)
1. On the isotropy of induced multipole moments in heavy ion complexes.
Trumm M
J Comput Chem; 2018 Mar; 39(7):373-379. PubMed ID: 29159816
[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. 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]
4. Dipole and quadrupole polarizabilities of the water molecule as a function of geometry.
Loboda O; Ingrosso F; Ruiz-López MF; Reis H; Millot C
J Comput Chem; 2016 Sep; 37(23):2125-32. PubMed ID: 27354163
[TBL] [Abstract][Full Text] [Related]
5. Beyond Point Charges: Dynamic Polarization from Neural Net Predicted Multipole Moments.
Darley MG; Handley CM; Popelier PL
J Chem Theory Comput; 2008 Sep; 4(9):1435-48. PubMed ID: 26621430
[TBL] [Abstract][Full Text] [Related]
6. Contributions of dipole moments, quadrupole moments, and molecular polarizabilities to the anesthetic potency of fluorobenzenes.
Trudell JR
Biophys Chem; 1998 Jul; 73(1-2):7-11. PubMed ID: 17029714
[TBL] [Abstract][Full Text] [Related]
7. Partitioning of higher multipole polarizabilities: numerical evaluation of transferability.
Geldof D; Krishtal A; Geerlings P; Van Alsenoy C
J Phys Chem A; 2011 Nov; 115(45):13096-103. PubMed ID: 21916519
[TBL] [Abstract][Full Text] [Related]
8. Local decomposition of imaginary polarizabilities and dispersion coefficients.
Harczuk I; Nagy B; Jensen F; Vahtras O; Ågren H
Phys Chem Chem Phys; 2017 Aug; 19(30):20241-20250. PubMed ID: 28726873
[TBL] [Abstract][Full Text] [Related]
9. Ab initio determination of the electric multipole moments and static (hyper)polarizability of HCCX, X = F, Cl, Br, and I.
Maroulis G
J Comput Chem; 2003 Mar; 24(4):443-52. PubMed ID: 12594787
[TBL] [Abstract][Full Text] [Related]
10. Ab initio calculations of heavy-actinide hexahalide compounds: do these heavy actinides behave like their isoelectronic lanthanide analogues?
Celis-Barros C; Páez-Hernández D; Beltrán-Leiva MJ; Arratia-Perez R
Phys Chem Chem Phys; 2018 Feb; 20(6):4038-4049. PubMed ID: 29354822
[TBL] [Abstract][Full Text] [Related]
11. Long-range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O(2)-O(2), N(2)-N(2) and O(2)-N(2).
Bartolomei M; Carmona-Novillo E; Hernández MI; Campos-Martínez J; Hernández-Lamoneda R
J Comput Chem; 2011 Jan; 32(2):279-90. PubMed ID: 20645304
[TBL] [Abstract][Full Text] [Related]
12. Accuracy of distributed multipoles and polarizabilities: comparison between the LoProp and MpProp models.
Söderhjelm P; Krogh JW; Karlström G; Ryde U; Lindh R
J Comput Chem; 2007 Apr; 28(6):1083-90. PubMed ID: 17279548
[TBL] [Abstract][Full Text] [Related]
13. Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes.
Jung J; Atanasov M; Neese F
Inorg Chem; 2017 Aug; 56(15):8802-8816. PubMed ID: 28708410
[TBL] [Abstract][Full Text] [Related]
14. Anisotropic dipole polarizability of transition metal atoms: Sc(2D), Ti(3F,3P), V(4F,4P,6D), Ni(3F) and ions: Sc2+(2D), Ti2+(3F,3P).
Kłos J
J Chem Phys; 2005 Jul; 123(2):24308. PubMed ID: 16050746
[TBL] [Abstract][Full Text] [Related]
15. A general formula for the rate of resonant transfer of energy between two electric multipole moments of arbitrary order using molecular quantum electrodynamics.
Salam A
J Chem Phys; 2005 Jan; 122(4):44112. PubMed ID: 15740240
[TBL] [Abstract][Full Text] [Related]
16. Van der Waals complexes of small molecules with benzenoid rings: influence of multipole moments on their mutual orientation.
Mishra BK; Sathyamurthy N
J Phys Chem A; 2007 Mar; 111(11):2139-47. PubMed ID: 17388262
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Experimental and theoretical determination of the dipole-quadrupole and dipole-octopole polarizabilities of the group IV tetrachlorides TiCl4, ZrCl4, and HfCl4.
Hohm U; Maroulis G
J Chem Phys; 2006 Mar; 124(12):124312. PubMed ID: 16599679
[TBL] [Abstract][Full Text] [Related]
19. Complexation behavior of trivalent actinides and lanthanides with 1,10-phenanthroline-2,9-dicarboxylic acid based ligands: insight from density functional theory.
Manna D; Ghanty TK
Phys Chem Chem Phys; 2012 Aug; 14(31):11060-9. PubMed ID: 22763671
[TBL] [Abstract][Full Text] [Related]
20. Efficient determination of accurate atomic polarizabilities for polarizeable embedding calculations.
Schröder H; Schwabe T
J Comput Chem; 2016 Aug; 37(22):2052-9. PubMed ID: 27317509
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]