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Items: 1 to 20 of 231

1.

Static electric dipole polarizabilities of tri- and tetravalent U, Np, and Pu ions.

Parmar P, Peterson KA, Clark AE.

J Phys Chem A. 2013 Nov 21;117(46):11874-80. doi: 10.1021/jp403078j. Epub 2013 May 24.

PMID:
23679053
2.

Static electric dipole polarizabilities of An(5+/6+) and AnO2 (+/2+) (An = U, Np, and Pu) ions.

Parmar P, Peterson KA, Clark AE.

J Chem Phys. 2014 Dec 21;141(23):234304. doi: 10.1063/1.4903792.

PMID:
25527932
3.

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 15;122(11):114315.

PMID:
15839724
4.

Static and frequency-dependent dipole-dipole polarizabilities of all closed-shell atoms up to radium: a four-component relativistic DFT study.

Bast R, Hesselmann A, Sałek P, Helgaker T, Saue T.

Chemphyschem. 2008 Feb 22;9(3):445-53. doi: 10.1002/cphc.200700504.

PMID:
18224633
6.
7.

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 24;113(38):10335-42. doi: 10.1021/jp904420z.

PMID:
19722531
8.

Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.

Karamanis P, Pouchan C, Leszczynski J.

J Phys Chem A. 2008 Dec 25;112(51):13662-71. doi: 10.1021/jp8071603.

PMID:
19093824
9.

Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects.

Hangele T, Dolg M, Hanrath M, Cao X, Schwerdtfeger P.

J Chem Phys. 2012 Jun 7;136(21):214105. doi: 10.1063/1.4723805.

PMID:
22697528
10.

Property-optimized gaussian basis sets for molecular response calculations.

Rappoport D, Furche F.

J Chem Phys. 2010 Oct 7;133(13):134105. doi: 10.1063/1.3484283.

PMID:
20942521
11.

Electric field effects on the shielding constants of noble gases: a four-component relativistic Hartree-Fock study.

Pecul M, Saue T, Ruud K, Rizzo A.

J Chem Phys. 2004 Aug 15;121(7):3051-7.

PMID:
15291614
12.

Electric dipole (hyper)polarizabilities of spatially confined LiH molecule.

Góra RW, Zaleśny R, Kozłowska J, Naciążek P, Roztoczyńska A, Strasburger K, Bartkowiak W.

J Chem Phys. 2012 Sep 7;137(9):094307.

PMID:
22957569
14.

Electronic spectra of DyF studied by four-component relativistic configuration interaction methods.

Yamamoto S, Tatewaki H.

J Chem Phys. 2015 Mar 7;142(9):094312. doi: 10.1063/1.4913631.

PMID:
25747086
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 14;129(6):064309. doi: 10.1063/1.2960624.

PMID:
18715071
16.

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. doi: 10.1002/jcc.20976. Erratum in: J Comput Chem. 2008 Nov 15;29(14):2485-6.

PMID:
18432620
17.
18.

Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets.

Yang J, Hättig C.

J Chem Phys. 2009 Aug 21;131(7):074102. doi: 10.1063/1.3204388.

PMID:
19708727
19.

Static and dynamic coupled perturbed Hartree-Fock vibrational (hyper)polarizabilities of polyacetylene calculated by the finite field nuclear relaxation method.

Lacivita V, Rérat M, Kirtman B, Orlando R, Ferrabone M, Dovesi R.

J Chem Phys. 2012 Jul 7;137(1):014103. doi: 10.1063/1.4731266.

PMID:
22779633
20.

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