175 related articles for article (PubMed ID: 12116404)
1. Intensity-carrying modes important for vibrational polarizabilities and hyperpolarizabilities of molecules: derivation from the algebraic properties of formulas and applications.
Torii H
J Comput Chem; 2002 Jul; 23(10):997-1006. PubMed ID: 12116404
[TBL] [Abstract][Full Text] [Related]
2. Resonant Raman spectra and first molecular hyperpolarizabilities of strongly charge-transfer molecules.
Hung ST; Wang CH; Kelley AM
J Chem Phys; 2005 Oct; 123(14):144503. PubMed ID: 16238403
[TBL] [Abstract][Full Text] [Related]
3. Theoretical investigation of the (hyper)polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study.
Alparone A; Reis H; Papadopoulos MG
J Phys Chem A; 2006 May; 110(17):5909-18. PubMed ID: 16640389
[TBL] [Abstract][Full Text] [Related]
4. Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: the first dipole hyperpolarizability of retinal and related molecules.
Gao B; Ringholm M; Bast R; Ruud K; Thorvaldsen AJ; Jaszuński M
J Phys Chem A; 2014 Jan; 118(4):748-56. PubMed ID: 24405250
[TBL] [Abstract][Full Text] [Related]
5. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
Glover WJ; Larsen RE; Schwartz BJ
J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) model.
Neiss C; Hättig C
J Chem Phys; 2007 Apr; 126(15):154101. PubMed ID: 17461608
[TBL] [Abstract][Full Text] [Related]
8. Multidimensional infrared spectroscopy for molecular vibrational modes with dipolar interactions, anharmonicity, and nonlinearity of dipole moments and polarizability.
Hyeon-Deuk K; Tanimura Y
J Chem Phys; 2005 Dec; 123(22):224310. PubMed ID: 16375479
[TBL] [Abstract][Full Text] [Related]
9. Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method.
Kamiya M; Sekino H; Tsuneda T; Hirao K
J Chem Phys; 2005 Jun; 122(23):234111. PubMed ID: 16008434
[TBL] [Abstract][Full Text] [Related]
10. 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; 112(51):13662-71. PubMed ID: 19093824
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. 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]
13. Origin of near-infrared absorption and large second hyperpolarizability in oxyallyl diradicaloids: a three-state model approach.
Yesudas K; Bhanuprakash K
J Phys Chem A; 2007 Mar; 111(10):1943-52. PubMed ID: 17311369
[TBL] [Abstract][Full Text] [Related]
14. The dipole moment, polarizabilities, and first hyperpolarizabilities of HArF. A computational and comparative study.
Avramopoulos A; Reis H; Li J; Papadopoulos MG
J Am Chem Soc; 2004 May; 126(19):6179-84. PubMed ID: 15137783
[TBL] [Abstract][Full Text] [Related]
15. Cooperative interactions in supramolecular aggregates: linear and nonlinear responses in calix[4]arenes.
Datta A; Terenziani F; Painelli A
Chemphyschem; 2006 Oct; 7(10):2168-74. PubMed ID: 16983717
[TBL] [Abstract][Full Text] [Related]
16. Density functional theory study on the first hyperpolarizabilities of organoimido derivatives of hexamolybdates.
Yan L; Yang G; Guan W; Su Z; Wang R
J Phys Chem B; 2005 Dec; 109(47):22332-6. PubMed ID: 16853908
[TBL] [Abstract][Full Text] [Related]
17. Analytic calculations of vibrational hyperpolarizabilities in the atomic orbital basis.
Thorvaldsen AJ; Ruud K; Jaszuński M
J Phys Chem A; 2008 Nov; 112(46):11942-50. PubMed ID: 18947217
[TBL] [Abstract][Full Text] [Related]
18. Valence-bond/coherent-states approach to the charge equilibration model I. Valence-bond models for diatomic molecules.
Morales JA
J Phys Chem A; 2009 May; 113(20):6004-15. PubMed ID: 19391590
[TBL] [Abstract][Full Text] [Related]
19. A unified description of linear and nonlinear polarization in organic polymethine dyes.
Marder SR; Gorman CB; Meyers F; Perry JW; Bourhill G; Brédas JL; Pierce BM
Science; 1994 Jul; 265(5172):632-5. PubMed ID: 17752759
[TBL] [Abstract][Full Text] [Related]
20. Algebraic-matrix calculation of vibrational levels of triatomic molecules.
Sedivcová-Uhlíková T; Abdullah HY; Manini N
J Phys Chem A; 2009 May; 113(21):6142-8. PubMed ID: 19419231
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
