221 related articles for article (PubMed ID: 15945714)
1. Variational calculation of vibrational linear and nonlinear optical properties.
Torrent-Sucarrat M; Luis JM; Kirtman B
J Chem Phys; 2005 May; 122(20):204108. PubMed ID: 15945714
[TBL] [Abstract][Full Text] [Related]
2. Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. I. Molecular polarizabilities and hyperpolarizabilities.
Reis H; Grzybowski A; Papadopoulos MG
J Phys Chem A; 2005 Nov; 109(44):10106-20. PubMed ID: 16838931
[TBL] [Abstract][Full Text] [Related]
3. Electronic and vibrational second-order nonlinear optical properties of protein secondary structural motifs.
Perry JM; Moad AJ; Begue NJ; Wampler RD; Simpson GJ
J Phys Chem B; 2005 Oct; 109(42):20009-26. PubMed ID: 16853586
[TBL] [Abstract][Full Text] [Related]
4. Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. II. Local field effects and optical susceptibilitities.
Reis H; Papadopoulos MG; Grzybowski A
J Phys Chem B; 2006 Sep; 110(37):18537-52. PubMed ID: 16970482
[TBL] [Abstract][Full Text] [Related]
5. Anharmonic overtone and combination states of glycine and two model peptides examined by vibrational self-consistent field theory.
Meng K; Wang J
Phys Chem Chem Phys; 2011 Feb; 13(6):2001-13. PubMed ID: 21173967
[TBL] [Abstract][Full Text] [Related]
6. Bose-Einstein condensates in the presence of a magnetic trap and optical lattice.
Kapitula T; Kevrekidis PG
Chaos; 2005 Sep; 15(3):37114. PubMed ID: 16253009
[TBL] [Abstract][Full Text] [Related]
7. A time correlation function theory describing static field enhanced third order optical effects at interfaces.
Neipert C; Space B
J Chem Phys; 2006 Dec; 125(22):224706. PubMed ID: 17176153
[TBL] [Abstract][Full Text] [Related]
8. Fast vibrational self-consistent field calculations through a reduced mode-mode coupling scheme.
Benoit DM
J Chem Phys; 2004 Jan; 120(2):562-73. PubMed ID: 15267890
[TBL] [Abstract][Full Text] [Related]
9. Vibrational structure theory: new vibrational wave function methods for calculation of anharmonic vibrational energies and vibrational contributions to molecular properties.
Christiansen O
Phys Chem Chem Phys; 2007 Jun; 9(23):2942-53. PubMed ID: 17551617
[TBL] [Abstract][Full Text] [Related]
10. Vibrational energy transport in the presence of intrasite vibrational energy redistribution.
Schade M; Hamm P
J Chem Phys; 2009 Jul; 131(4):044511. PubMed ID: 19655898
[TBL] [Abstract][Full Text] [Related]
11. The VMFCI method: a flexible tool for solving the molecular vibration problem.
Cassam-Chenaï P; Liévin J
J Comput Chem; 2006 Apr; 27(5):627-40. PubMed ID: 16470836
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. Comparison of the numerical stability of methods for anharmonic calculations of vibrational molecular energies.
Danecek P; Bour P
J Comput Chem; 2007 Jul; 28(10):1617-24. PubMed ID: 17340607
[TBL] [Abstract][Full Text] [Related]
15. Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods.
Cyrański MK; Jezierska A; Klimentowska P; Panek JJ; Zukowska GZ; Sporzyński A
J Chem Phys; 2008 Mar; 128(12):124512. PubMed ID: 18376948
[TBL] [Abstract][Full Text] [Related]
16. Modeling vibrational resonance in linear hydrocarbon chain with a mixed quantum-classical method.
Gelman D; Schwartz SD
J Chem Phys; 2009 Apr; 130(13):134110. PubMed ID: 19355720
[TBL] [Abstract][Full Text] [Related]
17. Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions.
Bochevarov AD; Sherrill CD
J Chem Phys; 2005 Jun; 122(23):234110. PubMed ID: 16008433
[TBL] [Abstract][Full Text] [Related]
18. On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF.
Avramopoulos A; Reis H; Luis JM; Papadopoulos MG
J Comput Chem; 2013 Jun; 34(17):1446-55. PubMed ID: 23553331
[TBL] [Abstract][Full Text] [Related]
19. Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3.
Luis JM; Reis H; Papadopoulos M; Kirtman B
J Chem Phys; 2009 Jul; 131(3):034116. PubMed ID: 19624190
[TBL] [Abstract][Full Text] [Related]
20. Vibrational dynamics of DNA: IV. Vibrational spectroscopic characteristics of A-, B-, and Z-form DNA's.
Lee C; Cho M
J Chem Phys; 2007 Apr; 126(14):145102. PubMed ID: 17444751
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]