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loison's library [406 articles]

Recent papers added to loison's library.
  • Sign Change of Hyperpolarizabilities of Solvated Water, Revised: Effects of Equilibrium and Nonequilibrium Solvation
    J. Phys. Chem. A, Vol. 108, No. 41. (14 October 2004), pp. 8961-8965.
    by KO Sylvester-Hvid, KV Mikkelsen, P Norman, D Jonsson, H Agren
    posted to water simulations hyperpolarizability by loison on 2008-07-31 15:20:09 as **
  • Collective and cooperative phenomena in molecular materials: dimers of polar chromophores
    Journal of Luminescence, Vol. 112, No. 1-4. (April 2005), pp. 474-478.
    by Francesca Terenziani, Anna Painelli
    posted to theory onl coupled_oscillators by loison on 2008-07-24 11:56:22 as **
  • Effects of Dipolar Interactions on Linear and Nonlinear Optical Properties of Multichromophore Assemblies: A Case Study
    Chemistry - A European Journal, Vol. 12, No. 11. (2006), pp. 3089-3102.
    by Francesca Terenziani, Olivier Mongin, Claudine Katan, Bharath, Mireille Blanchard-Desce
    posted to theory onl by loison on 2008-07-24 11:37:54 as **
  • Multichromophores for Nonlinear Optics: Designing the Material Properties by Electrostatic Interactions13
    ChemPhysChem, Vol. 8, No. 17. (2007), pp. 2433-2444.
    by Francesca Terenziani, Gabriele D'Avino, Anna Painelli
    posted to theory onl by loison on 2008-07-24 11:17:46 as **
  • Symmetry Breaking in Octupolar Chromophores: Solvatochromism and Electroabsorption
    J. Phys. Chem. B, Vol. 112, No. 16. (24 April 2008), pp. 5079-5087.
    by F Terenziani, C Sissa, A Painelli
    posted to octupolar cv by loison on 2008-07-24 11:15:35 as **
  • Quantum capping potentials with point charges: A simple QM/MM approach for the calculation of large-molecule NMR shielding tensors
    The Journal of Chemical Physics, Vol. 120, No. 19. (2004), pp. 9080-9086.
    by Seongho Moon, Phillip A Christiansen, Gino A Dilabio
    posted to qmmm by loison on 2008-07-23 14:37:29 as **
  • Ab Initio Calculations of the Excited States of Formamide
    J. Phys. Chem., Vol. 100, No. 32. (8 August 1996), pp. 13487-13491.
    by JD Hirst, DM Hirst, CL Brooks
    posted to theory formamide by loison on 2008-07-22 14:22:17 as **
  • Vibrational contributions to nonlinear optical properties of methanol, ethanol and propanol
    Journal of Molecular Structure: THEOCHEM, Vol. 717, No. 1-3. (17 March 2005), pp. 223-230.
    by Yan-Hua Wang, Chuan-Kui Wang, Yi Luo
    posted to theory solvent hyperpolarizability by loison on 2008-07-18 15:20:47 as **
  • Are Current Molecular Dynamics Force Fields too Helical?
    Biophys. J., Vol. 95, No. 1. (1 July 2008), pp. L07-9.
    by Robert B Best, Nicolae-Viorel Buchete, Gerhard Hummer
    posted to md by loison on 2008-07-15 08:38:56 as ** along with 2 people middledomain dmobley
  • Optically Active Sum Frequency Generation from Molecules with a Chiral Center: Amino Acids as Model Systems
    J. Am. Chem. Soc., Vol. 126, No. 46. (24 November 2004), pp. 15008-15009.
    by N Ji, YR Shen
    posted to shg aminoacids by loison on 2008-07-10 14:18:10 as **
  • Second-harmonic generation in nonpolar chiral materials: relationship between molecular and macroscopic properties
    J. Opt. Soc. Am. B, Vol. 18, No. 12. (1 December 2001), pp. 1858-1865.
    by Victor Ostroverkhov, Kenneth D Singer, Rolfe G Petschek
    posted to hrs by loison on 2008-07-10 13:29:33 as **
  • The hyperpolarizability dispersion of para-nitroaniline
    Chemical Physics Letters, Vol. 207, No. 2-3. (21 May 1993), pp. 190-194.
    by Yi Luo, Hans Ågren, Olav Vahtras, Paul Jørgensen
    posted to pna hyperpolarizability by loison on 2008-07-10 08:34:15 as **
  • Measurements of the hyperpolarizability tensor by means of hyper-Rayleigh scattering
    J. Opt. Soc. Am. B, Vol. 17, No. 9. (2000), pp. 1531-1542.
    by V Ostroverkhov, RG Petschek, KD Singer, L Sukhomlinova, RJ Twieg, SX Wang, LC Chien
    posted to hrs by loison on 2008-07-09 13:30:48 as **
  • Molecular Symmetry and Solution-Phase Structure Interrogated by Hyper-Rayleigh Depolarization Measurements: Elaborating Highly Hyperpolarizable <I>D</I><SUB><FONT SIZE='-1'>2</FONT></SUB>-Symmetric Chromophores13
    Angewandte Chemie International Edition, Vol. 47, No. 16. (2008), pp. 2978-2981.
    by Timothy v, Kai Song, Sheng-Ting Hung, Ivan Miloradovic, Animesh Nayak, André Persoons, Thierry Verbiest, Michael j, Koen Clays
    posted to hrs cv by loison on 2008-07-09 13:27:14 as **
  • Theoretical Study of the Absorption and Emission Spectra of Indole in the Gas Phase and in a Solvent
    J. Am. Chem. Soc., Vol. 118, No. 1. (10 January 1996), pp. 185-195.
    by L Serrano-Andres, BO Roos
    posted to tryptophan casscf by loison on 2008-07-08 14:23:07 as **
  • How to Model Solvation of Peptides? Insights from a Quantum-mechanical and Molecular Dynamics Study of N-Methylacetamide. 1. Geometries, Infrared, and Ultraviolet Spectra in Water
    J. Phys. Chem. B, Vol. 109, No. 19. (19 May 2005), pp. 9818-9829.
    by B Mennucci, JM Martinez
    posted to theory solvation peptides by loison on 2008-06-24 13:42:53 as **
  • Geometry and Solvent Dependence of the Electronic Spectra of the Amide Group and Consequences for Peptide Circular Dichroism
    J. Phys. Chem. A, Vol. 110, No. 14. (13 April 2006), pp. 4702-4711.
    by J Sebek, Z Kejik, P Bour
    posted to theory peptides amide by loison on 2008-06-24 13:28:53 as **
  • Multireference Configuration Interaction Calculations of Electronic States of N-Methylformamide, Acetamide, and N-Methylacetamide
    J. Phys. Chem. A, Vol. 101, No. 26. (26 June 1997), pp. 4821-4827.
    by JD Hirst, DM Hirst, CL Brooks
    posted to theory collagen amide by loison on 2008-06-24 12:53:52 as **
  • Theoretical Study of the Electronic Spectroscopy of Peptides. 1. The Peptidic Bond: Primary, Secondary, and Tertiary Amides
    J. Am. Chem. Soc., Vol. 118, No. 48. (4 December 1996), pp. 12190-12199.
    by L Serrano-Andres, MP Fulscher
    posted to theory peptide by loison on 2008-06-24 12:38:21 as **
  • Simulation of the Mechanical Strength of a Single Collagen Molecule
    Biophys. J., Vol. 95, No. 1. (1 July 2008), pp. 33-39.
    by In, Mark J Stevens
    posted to simulations collagen by loison on 2008-06-23 15:24:06 as **
  • Interaction of Tryptophan Dipeptides with Sodium Dodecyl Sulfate Micelles
    Journal of Colloid and Interface Science, Vol. 198, No. 2. (15 February 1998), pp. 300-307.
    by Takeyoshi Imamura, Katsutoshi Konishi
    posted to tryptophan sds micelles by loison on 2008-06-20 10:27:26 as **
  • Second and third optical harmonic generation in type I collagen, by nanosecond laser irradiation, over a broad spectral region
    Optics Communications, Vol. 176, No. 1-3. (15 March 2000), pp. 253-260.
    by E Georgiou, T Theodossiou, V Hovhannisyan, K Politopoulos, GS Rapti, D Yova
    posted to hyperpolarizability collagen by loison on 2008-06-19 11:30:44 as **
  • Quantification of the second-order nonlinear susceptibility of collagen I using a laser scanning microscope
    Journal of Biomedical Optics, Vol. 12, No. 4. (2007)
    by Arne Erikson, Jonas örtegren, Tord Hompland, Catharina, Mikael Lindgren
    posted to hyperpolarizability collagen by loison on 2008-06-19 11:29:06 as **
  • A discrete solvent reaction field model for calculating frequency-dependent hyperpolarizabilities of molecules in solution
    The Journal of Chemical Physics, Vol. 119, No. 24. (2003), pp. 12998-13006.
    by Lasse Jensen, Piet, Jaap G Snijders
    posted to water hyperpolarizability drf by loison on 2008-06-17 08:32:11 as **
  • An Explicit Quantum Chemical Method for Modeling Large Solvation Shells Applied to Aminocoumarin C151
    J. Phys. Chem. A, Vol. 109, No. 34. (1 September 2005), pp. 7805-7814.
    by J Neugebauer, CR Jacob, TA Wesolowski, EJ Baerends
    posted to water efd adf by loison on 2008-06-16 11:50:35 as **
  • Revisiting small clusters of water molecules
    Chemical Physics Letters, Vol. 131, No. 6. (21 November 1986), pp. 451-456.
    by KS Kim, M Dupuis, GC Lie, E Clementi
    posted to water cluster by loison on 2008-06-16 08:32:49 as **
  • Structures and vibrational spectra of water clusters in the self-consistent-field approximation
    The Journal of Chemical Physics, Vol. 96, No. 7. (1992), pp. 5233-5244.
    by R Knochenmuss, S Leutwyler
    posted to water cluster by loison on 2008-06-16 08:29:16 as **
  • Electrostatic calculation of linear and non-linear optical properties of ice Ih, II, IX and VIII
    Chemical Physics, Vol. 263, No. 2-3. (15 January 2001), pp. 301-316.
    by H Reis, SG Raptis, MG Papadopoulos
    posted to water hyperpolarizability by loison on 2008-06-13 12:05:43 as **
  • Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde
    The Journal of Chemical Physics, Vol. 126, No. 15. (2007)
    by Christian B Nielsen, Ove Christiansen, Kurt V Mikkelsen, Jacob Kongsted
    posted to water simulations hyperpolarizability by loison on 2008-06-13 11:51:15 as **
  • Effects on hyperpolarizabilities of molecular interactions in associating liquid mixtures
    The Journal of Chemical Physics, Vol. 65, No. 6. (1976), pp. 2429-2438.
    by BF Levine, CG Bethea
    posted to water hyperpoparizability by loison on 2008-06-10 11:47:17 as **
  • Enormous Hyper-Rayleigh Scattering from Nanocrystalline Gold Particle Suspensions
    J. Phys. Chem. B, Vol. 102, No. 50. (10 December 1998), pp. 10091-10093.
    by FW Vance, BI Lemon, JT Hupp
    posted to water hyperpoparizability by loison on 2008-06-10 11:42:08 as **
  • Hyperpolarizability: Calibration of theoretical methods for chloroform, water, acetonitrile, and p-nitroaniline
    Optical Materials, Vol. 29, No. 4. (December 2006), pp. 360-364.
    by ER Davidson, BE Eichinger, BH Robinson
    posted to water pna hyperpolarizability by loison on 2008-06-10 10:22:57 as **
  • A discrete solvent reaction field model within density functional theory
    The Journal of Chemical Physics, Vol. 118, No. 2. (2003), pp. 514-521.
    by Lasse Jensen, Piet, Jaap G Snijders
    posted to water hyperpolarizability by loison on 2008-06-09 14:14:52 as **
  • Sign change of hyperpolarizabilities of solvated water
    The Journal of Chemical Physics, Vol. 102, No. 23. (1995), pp. 9362-9367.
    by Kurt V Mikkelsen, Yi Luo, Hans \ Gren, Poul J Rgensen
    posted to water hyperpolarizability by loison on 2008-06-09 13:45:45 as **
  • Calculation of vibrational dynamic hyperpolarizabilities for H[sub 2]O, CO[sub 2], and NH[sub 3]
    The Journal of Chemical Physics, Vol. 98, No. 10. (1993), pp. 8024-8030.
    by David M Bishop, Bernard Kirtman, Henry A Kurtz, Julia E Rice
    posted to water hyperpolarizability by loison on 2008-06-09 13:32:56 as **
  • Frequency-dependent polarizabilities and first hyperpolarizabilities of H[sub 2]O
    The Journal of Chemical Physics, Vol. 98, No. 9. (1993), pp. 7159-7164.
    by Yi Luo, Hans \ Gren, Olav Vahtras, Poul J Rgensen, Vladimir Spirko, Hinne Hettema
    posted to water hyperpolarizability by loison on 2008-06-09 13:25:46 as **
  • Hyperpolarizability of H[sub 2]O
    The Journal of Chemical Physics, Vol. 94, No. 2. (1991), pp. 1182-1190.
    by George Maroulis
    posted to water hyperpolarizability by loison on 2008-06-09 13:24:34 as **
  • The N-terminal 12 Residue Long Peptide of HIV gp41 is the Minimal Peptide Sufficient to Induce Significant T-cell-like Membrane Destabilization in Vitro
    Journal of Molecular Biology, Vol. 359, No. 3. (9 June 2006), pp. 597-609.
    by B Charloteaux, A Lorin, JM Crowet, V Stroobant, L Lins, A Thomas, R Brasseur
    posted to simulations hiv gp41 by loison on 2008-06-09 11:10:20 as **
  • Structure and Dynamics of Micelle-Associated Human Immunodeficiency Virus gp41 Fusion Domain
    Biochemistry, Vol. 44, No. 49. (13 December 2005), pp. 16167-16180.
    by CP Jaroniec, JD Kaufman, SJ Stahl, M Viard, R Blumenthal, PT Wingfield, A Bax
    posted to hiv gp41 by loison on 2008-06-09 11:04:05 as **
  • Structure-Function Analysis of Tritrpticin Analogs: Potential Relationships between Antimicrobial Activities, Model Membrane Interactions, and Their Micelle-Bound NMR Structures
    Biophys. J., Vol. 91, No. 12. (15 December 2006), pp. 4413-4426.
    by David J Schibli, Leonard T Nguyen, Stephanie D Kernaghan, Oystein Rekdal, Hans J Vogel
    posted to hiv gp41 antimicrobialpeptides by loison on 2008-06-09 11:00:01 as **
  • The Membrane-Proximal Tryptophan-Rich Region of the HIV Glycoprotein, gp41, Forms a Well-Defined Helix in Dodecylphosphocholine Micelles
    Biochemistry, Vol. 40, No. 32. (14 August 2001), pp. 9570-9578.
    by DJ Schibli, RC Montelaro, HJ Vogel
    posted to trp hiv gp41 by loison on 2008-06-09 10:56:04 as **
  • Structural Analysis and Assembly of the HIV-1 Gp41 Amino-Terminal Fusion Peptide and the Pretransmembrane Amphipathic-At-Interface Sequence
    Biochemistry, Vol. 45, No. 48. (5 December 2006), pp. 14337-14346.
    by M Lorizate, I Delaarada, N Huarte, S Sanchez-Martinez, BG Delatorre, D Andreu, JLR Arrondo, JL Nieva
    posted to hiv gp41 by loison on 2008-06-09 10:46:11 as **
  • A Conserved Tryptophan-Rich Motif in the Membrane-Proximal Region of the Human Immunodeficiency Virus Type 1 gp41 Ectodomain Is Important for Env-Mediated Fusion and Virus Infectivity
    J. Virol., Vol. 73, No. 3. (1 March 1999), pp. 2469-2480.
    by Karl Salzwedel, John T West, Eric Hunter
    posted to trp hiv gp41 by loison on 2008-06-09 10:36:07 as **
  • Helimagnetism and weak ferromagnetism in NaCu2O2 and related frustrated chain cuprates
    Journal of Physics: Condensed Matter, Vol. 19, No. 14. (2007), 145230.
    by SL Drechsler, N Tristan, R Klingeler, B Büchner, J Richter, J Málek, O Volkova, A Vasiliev, M Schmitt, A Ormeci, C Loison, W Schnelle, H Rosner
    posted to no-tag by loison on 2008-06-09 09:43:19 as **
  • Hydrogen Bonding to &#x03C0;-Systems of Indole and 1-Methylindole: Is There Any OH···Phenyl Bond?
    J. Phys. Chem. A, Vol. 109, No. 35. (8 September 2005), pp. 8028-8034.
    by RB Zhang, KRF Somers, ES Kryachko, MT Nguyen, T Zeegers-Huyskens, A Ceulemans
    posted to tryptophan indole by loison on 2008-06-04 14:41:33 as **
  • Theoretical and experimental investigations of the nonlinear optical properties of vanillin, polyenovanillin, and bisvanillin derivatives
    J. Am. Chem. Soc., Vol. 16, No. 5. (1994), pp. 2094-2102.
    by Chantal Andraud, Thierry Brotin, Chantal Garcia, Fabrienne Pelle, Philippe Goldner, Bernard Bigot, Andre Collet
    posted to nonlinear by loison on 2008-06-04 11:24:04 as **
  • How Does Ammonium Dynamically Interact with Benzene in Aqueous Media? A First Principle Study Using the Car-Parrinello Molecular Dynamics Method
    J. Phys. Chem. B, Vol. 110, No. 10. (16 March 2006), pp. 5094-5098.
    by R Sa, W Zhu, J Shen, Z Gong, J Cheng, K Chen, H Jiang
    posted to trp cation-pi by loison on 2008-06-02 09:54:22 as **
  • Comparison of multiple Amber force fields and development of improved protein backbone parameters
    Proteins: Structure, Function, and Bioinformatics, Vol. 65, No. 3. (2006), pp. 712-725.
    by Viktor Hornak, Robert Abel, Asim Okur, Bentley Strockbine, Adrian Roitberg, Carlos Simmerling
    posted to trpzip simulations by loison on 2008-05-29 12:19:47 as **
  • Heterogeneous Folding of the trpzip Hairpin: Full Atom Simulation and Experiment
    Journal of Molecular Biology, Vol. 336, No. 1. (6 February 2004), pp. 241-251.
    by Wei Y Yang, Jed W Pitera, William C Swope, Martin Gruebele
    posted to tryptophan trpzip by loison on 2008-05-26 11:05:10 as **
  • Insight into Indole Interactions from Alkali Metal Chloride Effects on a Tryptophan Zipper &#x03B2;-Hairpin Peptide
    J. Am. Chem. Soc., Vol. 128, No. 9. (8 March 2006), pp. 2762-2763.
    by CE Dempsey, PE Mason
    posted to tryptophan by loison on 2008-05-26 10:59:57 as **
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