Effect of molecular structure on wetting behavior of water+amphiphile mixtures: A density functional approach (English)
- New search for: Yeh, Ming-Chih
- New search for: Yeh, Ming-Chih
- New search for: Chen, Chia-Ming
- New search for: Chen, Li-Jen
In:
The journal of chemical physics
;
128
, 4
; 44719-44900
;
2008
-
ISSN:
- Article (Journal) / Print
-
Title:Effect of molecular structure on wetting behavior of water+amphiphile mixtures: A density functional approach
-
Contributors:
-
Published in:The journal of chemical physics ; 128, 4 ; 44719-44900
-
Publisher:
- New search for: AIP
-
Place of publication:Melville, NY
-
Publication date:2008
-
ISSN:
-
ZDBID:
-
Type of media:Article (Journal)
-
Type of material:Print
-
Language:English
- New search for: 35.10
- Further information on Basic classification
-
Keywords:
-
Classification:
BKL: 35.10 Physikalische Chemie: Allgemeines -
Source:
Table of contents – Volume 128, Issue 4
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 041101
-
Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorinede Macedo, Luiz Guilherme M. / de Jong, Wibe A. et al. | 2008
- 41102
-
Resonant dissociative electron transfer of the presolvated electron to CCl4 in liquid: Direct observation and lifetime of the CCl4sup ARRANGE="STAGGER">*sup ARRANGE="STAGGER">- transition stateWang, C.-R. et al. | 2008
- 041102
-
Resonant dissociative electron transfer of the presolvated electron to CCl4 in liquid: Direct observation and lifetime of the CCl4*− transition stateWang, C.-R. / Drew, K. / Luo, T. / Lu, M.-J. / Lu, Q.-B. et al. | 2008
- 041103
-
Enhancement of the transverse conductance in DNA nucleotidesMeunier, Vincent / Krstic´, Predrag S. et al. | 2008
- 041104
-
Solvent migration from the C- to the N-terminus of amino acid in photoionization of phenylglycine-water complexKim, Hyung Min / Han, Kyu Young / Park, Juyeon / Kim, Gap-Sue / Kim, Seong Keun et al. | 2008
- 044101
-
Hartree-Fock complete basis set limit properties for transition metal diatomicsWilliams, T. Gavin / DeYonker, Nathan J. / Wilson, Angela K. et al. | 2008
- 044102
-
Study on the maximum accuracy of the pseudopotential density functional method with localized atomic orbitals versus plane-wave basis setsGusso, Michele et al. | 2008
- 044103
-
On the mapping of time-dependent densities onto potentials in quantum mechanicsBaer, Roi et al. | 2008
- 044104
-
Auxiliary basis sets for density fitting–MP2 calculations: Nonrelativistic triple-ζ all-electron correlation consistent basis sets for the 3d elements Sc–ZnHill, J. Grant / Platts, James A. et al. | 2008
- 044105
-
Local-density approximation for orbital densities applied to the self-interaction correctionUmezawa, Naoto et al. | 2008
-
Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads methodKhavrutskii, Ilja V. / Dzubiella, Joachim / McCammon, J. Andrew et al. | 2008
- 044107
-
Dynamical dimer method for the determination of transition states with ab initio molecular dynamicsPoddey, Alexander / Blo¨chl, Peter E. et al. | 2008
- 44107
-
Dynamical dimer method for the determination of transition states with emph TYPE="1">ab initio molecular dynamicsPoddey, Alexander et al. | 2008
- 044108
-
A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effectsZheng, Jingjing / Gour, Jeffrey R. / Lutz, Jesse J. / Włoch, Marta / Piecuch, Piotr / Truhlar, Donald G. et al. | 2008
- 044109
-
The method of Gaussian weighted trajectories. III. An adiabaticity correction proposalBonnet, L. et al. | 2008
- 044110
-
Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfacesTaube, Andrew G. / Bartlett, Rodney J. et al. | 2008
- 044111
-
Improving upon CCSD(T): ΛCCSD(T). II. Stationary formulation and derivativesTaube, Andrew G. / Bartlett, Rodney J. et al. | 2008
- 044112
-
Quantum control mechanism analysis through field based Hamiltonian encoding: A laboratory implementable algorithmMitra, Abhra / Rabitz, Herschel et al. | 2008
- 044113
-
An algorithm for mass matrix calculation of internally constrained molecular geometriesAryanpour, Masoud / Dhanda, Abhishek / Pitsch, Heinz et al. | 2008
- 044114
-
Topological analysis of electron densities from Kohn-Sham and subsystem density functional theoryKiewisch, Karin / Eickerling, Georg / Reiher, Markus / Neugebauer, Johannes et al. | 2008
- 44115
-
A momentum-conserving Franck-Condon approximation: Theory and application to the photodissociation of Li2sup ARRANGE="STAGGER">+ in an intense laser fieldNichols, Patrick et al. | 2008
- 044115
-
A momentum-conserving Franck-Condon approximation: Theory and application to the photodissociation of Li2+ in an intense laser fieldNichols, Patrick / Hoffmann, Mark R. et al. | 2008
- 044116
-
Time propagation of constrained coupled Gaussian wave packetsFabcˇicˇ, Tomazˇ / Main, Jo¨rg / Wunner, Gu¨nter et al. | 2008
- 044117
-
Electric quadrupole polarizabilities of nuclear magnetic shielding in some small moleculesFerraro, M. B. / Caputo, M. C. / Pagola, G. I. / Lazzeretti, P. et al. | 2008
- 044118
-
Excitation energies in density functional theory: An evaluation and a diagnostic testPeach, Michael J. G. / Benfield, Peter / Helgaker, Trygve / Tozer, David J. et al. | 2008
- 044119
-
A method to reduce the size of the vibronic basis employed in the simulation of spectra using the multimode vibronic coupling approximationSchuurman, Michael S. / Yarkony, David R. et al. | 2008
- 044301
-
Charge-transfer photodissociation of adsorbed molecules via electron image statesJensen, E. T. et al. | 2008
- 044302
-
The umbrella motion of core-excited CH3 and CD3 methyl radicalsEkstro¨m, U. / Carravetta, V. / Alagia, M. / Lavolle´e, M. / Richter, R. / Bolcato, C. / Stranges, S. et al. | 2008
- 044303
-
The electron photodetachment spectrum of c-C4F8−: A test case for the computation of Franck-Condon factors of highly flexible moleculesBorrelli, Raffaele / Peluso, Andrea et al. | 2008
- 44304
-
A new emph TYPE="1">ab initio ground-state dipole moment surface for the water moleculeLodi, Lorenzo et al. | 2008
- 044304
-
A new ab initio ground-state dipole moment surface for the water moleculeLodi, Lorenzo / Tolchenov, Roman N. / Tennyson, Jonathan / Lynas-Gray, A. E. / Shirin, Sergei V. / Zobov, Nikolai F. / Polyansky, Oleg L. / Csa´sza´r, Attila G. / van Stralen, Joost N. P. / Visscher, Lucas et al. | 2008
- 044305
-
High-resolution infrared spectroscopy of jet-cooled vinyl radical: Symmetric CH2 stretch excitation and tunneling dynamicsDong, Feng / Roberts, Melanie / Nesbitt, David J. et al. | 2008
- 044306
-
Reaction of carbon monoxide and hydrogen on neutral Nb8 clusters in the gas phaseXie, Y. / He, S.-G. / Dong, F. / Bernstein, E. R. et al. | 2008
- 044307
-
Critical conditions for stable dipole-bound dianionsFerro´n, Alejandro / Serra, Pablo / Kais, Sabre et al. | 2008
- 044308
-
Infrared spectra of CO2-doped 4He clusters, 4HeN–CO2, with N=1–60McKellar, A. R. W. et al. | 2008
- 44309
-
emph TYPE="1">Ab initio potential energy surface and bound states of the Xe-CO complexWang, Zhongquan et al. | 2008
- 044309
-
Ab initio potential energy surface and bound states of the Xe–CO complexWang, Zhongquan / Gong, Mingyan / Zhang, Yu / Feng, Eryin / Cui, Zhifeng et al. | 2008
- 044310
-
K selection in one-photon mass-analyzed threshold ionization of CH3I and CD3I to the X˜ 2E3/2 state cationsLee, Mina / Bae, Yong Jin / Kim, Myung Soo et al. | 2008
- 044311
-
Dissociative recombination of water cluster ions with free electrons: Cross sections and branching ratiosO¨jekull, J. / Andersson, P. U. / Pettersson, J. B. C. / Markovic´, N. / Thomas, R. D. / Al Khalili, A. / Ehlerding, A. / O¨sterdahl, F. / af Ugglas, M. / Larsson, M. et al. | 2008
- 044312
-
Potential energy surface of HDO up to 25 000 cm−1Yurchenko, S. N. / Voronin, B. A. / Tolchenov, R. N. / Doss, N. / Naumenko, O. V. / Thiel, W. / Tennyson, Jonathan et al. | 2008
- 044313
-
The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculationsVincent, Mark A. / Hillier, Ian H. / Morgado, Claudio A. / Burton, Neil A. / Shan, Xiao et al. | 2008
- 44313
-
The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level emph TYPE="1">ab initio and density functional theory calculationsVincent, Mark A. et al. | 2008
- 044314
-
Photoelectron spectroscopy of the parent anions of the nucleotides, adenosine-5′-monophosphate and 2′deoxyadenosine-5′-monophosphateStokes, Sarah T. / Grubisic, Andrej / Li, Xiang / Jae Ko, Yeon / Bowen, Kit H. et al. | 2008
- 044315
-
Barrier-free proton transfer in the valence anion of 2′-deoxyadenosine-5′-monophosphate. II. A computational studyKobyłecka, Monika / Gu, Jiande / Rak, Janusz / Leszczynski, Jerzy et al. | 2008
- 044316
-
The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phaseVall-llosera, G. / Gao, B. / Kivima¨ki, A. / Coreno, M. / A´lvarez Ruiz, J. / de Simone, M. / A˚gren, H. / Rachlew, E. et al. | 2008
- 044317
-
Size dependent fragmentation of argon clusters in the soft x-ray ionization regimeGisselbrecht, Mathieu / Lindgren, Andreas / Burmeister, Florian / Tchaplyguine, Maxim / O¨hrwall, Gunnar / Lundin, Magnus / de Brito, Arnaldo Naves / Svensson, Svante / Bjo¨rneholm, Olle / Sorensen, Stacey L. et al. | 2008
- 044318
-
Theoretical investigation of C56 fullerene isomers and related compoundsChen, De-Li / Tian, Wei Quan / Feng, Ji-Kang / Sun, Chia-Chung et al. | 2008
- 044319
-
Kinetic energy operators in linearized internal coordinatesPesonen, Janne et al. | 2008
- 044320
-
Threshold photoelectron spectroscopy on inner-valence ionic states of NOHikosaka, Y. / Aoto, T. / Ito, K. / Terasaka, Y. / Hirayama, R. / Miyoshi, E. et al. | 2008
- 044501
-
The structure of aqueous sodium hydroxide solutions: A combined solution x-ray diffraction and simulation studyMegyes, Tu¨nde / Ba´lint, Szabolcs / Gro´sz, Tama´s / Radnai, Tama´s / Bako´, Imre / Sipos, Pa´l et al. | 2008
- 044502
-
Uncovering the physical origin of the difference between aliphatic chain and aromatic ring in the “hydrophobic” effects on partial molar volumeImai, Takashi / Hisadomi, Yu / Sawamura, Seiji / Taniguchi, Yoshihiro et al. | 2008
- 044503
-
Theory for an order-driven disruption of the liquid state in waterEngland, Jeremy L. / Park, Sanghyun / Pande, Vijay S. et al. | 2008
- 044504
-
Contribution of inter- and intramolecular energy transfers to heat conduction in liquidsTorii, Daichi / Nakano, Takeo / Ohara, Taku et al. | 2008
- 044505
-
Exchange narrowing of the J band of molecular dye aggregatesWalczak, P. B. / Eisfeld, A. / Briggs, J. S. et al. | 2008
- 044506
-
Computer simulation of charged hard spherocylindersAvendan˜o, Carlos / Gil-Villegas, Alejandro / Gonza´lez-Tovar, Enrique et al. | 2008
- 044507
-
A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamicsYamada, Atsushi / Okazaki, Susumu et al. | 2008
- 044508
-
2-methylterrylene in hexadecane: Do we see single rotational quantum jumps of methyl groups?Sigl, A. / Scharnagl, Chr. / Friedrich, J. / Gourdon, A. / Orrit, M. et al. | 2008
- 044509
-
Vibrational dynamics of ice in reverse micellesDokter, Adriaan M. / Petersen, Christian / Woutersen, Sander / Bakker, Huib J. et al. | 2008
- 044510
-
Water polyamorphism: Reversibility and (dis)continuityWinkel, Katrin / Elsaesser, Michael S. / Mayer, Erwin / Loerting, Thomas et al. | 2008
- 044511
-
Correlation of ion dynamics and structure of superionic tellurite glassesDutta, D. / Ghosh, A. et al. | 2008
- 044512
-
Correlation between primary and secondary Johari–Goldstein relaxations in supercooled liquids: Invariance to changes in thermodynamic conditionsMierzwa, M. / Pawlus, S. / Paluch, M. / Kaminska, E. / Ngai, K. L. et al. | 2008
- 044701
-
Mechanical properties of alkanethiol monolayers studied by force spectroscopyOncins, Gerard / Vericat, Carolina / Sanz, Fausto et al. | 2008
- 044702
-
Phase behavior of a fluid confined in slitlike pores with walls modified by preadsorbed chain moleculesPizio, O. / Boro´wko, M. / Rz˙ysko, W. / Staszewski, T. / Sokołowski, S. et al. | 2008
- 044703
-
Exciplex emission from electroluminescent ladder-type pentaphenylene oligomers bearing both electron- and hole-accepting substituentsFinlayson, Chris E. / Kim, Ji-Seon / Liddell, Matthew J. / Friend, Richard H. / Jung, Sung-Hyun / Grimsdale, Andrew C. / Mu¨llen, Klaus et al. | 2008
- 044704
-
First-principles study of length dependence of conductance in alkanedithiolsZhou, Y. X. / Jiang, F. / Chen, H. / Note, R. / Mizuseki, H. / Kawazoe, Y. et al. | 2008
- 044705
-
Monte Carlo simulation of electrical double-layer formation from mixtures of electrolytes inside nanoporesHou, Chia-Hung / Taboada-Serrano, Patricia / Yiacoumi, Sotira / Tsouris, Costas et al. | 2008
- 044706
-
Molecular anchor Cu–S formed on a thiophene mediated Si(111)-(7×7) surfaceZhang, Y. P. / Yong, K. S. / Xu, G. Q. / Gao, X. Y. / Wang, X. S. / Wee, A. T. S. et al. | 2008
- 044707
-
Theory of pair connectedness in templated quenched-annealed systemsSarkisov, Lev et al. | 2008
- 044708
-
Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surfaceSingh, Jayant K. / Sarma, Gautam / Kwak, Sang K. et al. | 2008
- 044709
-
On the angular dependence of the optical polarization anisotropy in ladder-type polymersVaughan, Helen L. / Monkman, Andrew P. / Pa˚lsson, Lars-Olof / Nehls, Benjamin S. / Farrell, Tony / Scherf, Ullrich et al. | 2008
- 044710
-
Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4Lo Presti, Leonardo / Destro, Riccardo et al. | 2008
- 044711
-
First-principles investigation of the asymmetric contact effect on current-voltage characteristics of a molecular deviceZhang, Z. / Yang, Z. / Yuan, J. / Qiu, M. et al. | 2008
- 044712
-
Metal-nonmetal transition in dense fluid hydrogenSumi, Tomonari / Sekino, Hideo et al. | 2008
- 044713
-
On the prediction of the crystal and electronic structure of mixed-valence materials by periodic density functional calculations: The case of Prussian BlueWojdeł, Jacek C. / de P. R. Moreira, Ibe´rio / Bromley, Stefan T. / Illas, Francesc et al. | 2008
- 044714
-
Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other moleculesChre´tien, Steeve / Metiu, Horia et al. | 2008
- 044715
-
Electrokinetic boundary condition compatible with the Onsager reciprocal relation in the thin double layer approximationDoi, Masao / Makino, Masato et al. | 2008
- 044716
-
New concept of solute distribution around a diffusive crystal-solution interface of a binary Lennard-Jones mixture from the viewpoint of molecular dynamicsMaeda, Kouji / Asakuma, Yusuke / Fukui, Keisuke et al. | 2008
- 044717
-
MPSA effects on copper electrodeposition investigated by molecular dynamics simulationsGuymon, Clint G. / Harb, John N. / Rowley, Richard L. / Wheeler, Dean R. et al. | 2008
- 044718
-
Size dependence of structural, electronic, elastic, and optical properties of selenium nanowires: A first-principles studyKahaly, Mousumi Upadhyay / Ghosh, Prasenjit / Narasimhan, Shobhana / Waghmare, Umesh V. et al. | 2008
- 044719
-
Effect of molecular structure on wetting behavior of water+amphiphile mixtures: A density functional approachYeh, Ming-Chih / Chen, Chia-Ming / Chen, Li-Jen et al. | 2008
- 044901
-
Broadband dielectric investigation on poly(vinyl pyrrolidone) and its water mixturesCerveny, Silvina / Alegri´a, A´ngel / Colmenero, Juan et al. | 2008
- 044902
-
Viscoelasticity and primitive path analysis of entangled polymer liquids: From F-actin to polyethyleneUchida, Nariya / Grest, Gary S. / Everaers, Ralf et al. | 2008
- 044903
-
Polymer chain dynamics at interfaces: Role of boundary conditions at solid interfaceDesai, Tapan G. / Keblinski, Pawel / Kumar, Sanat K. et al. | 2008
- 044904
-
Delay-induced inward and outward spiral waves in oscillatory mediumHu, Hai Xiang / Ji, Lin / Li, Qian Shu et al. | 2008
- 044905
-
A multiscale model for kinetics of formation and disintegration of spherical micellesMohan, Gunjan / Kopelevich, Dmitry I. et al. | 2008
- 044906
-
A new anisotropic soft-core model for the simulation of liquid crystal mesophasesLintuvuori, Juho S. / Wilson, Mark R. et al. | 2008
- 044907
-
Phase separations in liquid crystal-colloid mixturesMatsuyama, Akihiko / Hirashima, Ryota et al. | 2008
- 044908
-
Local dielectric spectroscopy of near-surface glassy polymer dynamicsCrider, P. S. / Majewski, M. R. / Zhang, Jingyun / Oukris, H. / Israeloff, N. E. et al. | 2008
- 044909
-
Phase behavior of colloidal hard perfect tetragonal parallelepipedsJohn, Bettina S. / Juhlin, Carol / Escobedo, Fernando A. et al. | 2008
- 044910
-
Depletion potentials in colloidal mixtures of hard spheres and rodsLi, Weihua / Yang, Tao / Ma, Hong-ru et al. | 2008
- 044911
-
Revisiting random walks in fractal media: On the occurrence of time discrete scale invarianceBab, M. A. / Fabricius, G. / Albano, Ezequiel V. et al. | 2008
- 044912
-
The critical adsorption point of self-avoiding walks: A finite-size scaling approachLuo, Meng-Bo et al. | 2008
- 044913
-
Collision efficiency factor for heteroaggregation: Extension to soft interactionsOlsen, Aaron / Franks, George / Biggs, Simon / Jameson, Graeme J. et al. | 2008
- 044914
-
Propagators and related descriptors for non-Markovian asymmetric random walks with and without boundariesBerezhkovskii, Alexander M. / Weiss, George H. et al. | 2008
- 045101
-
The complex folding pathways of protein A suggest a multiple-funnelled energy landscapeSt-Pierre, Jean-Francois / Mousseau, Normand / Derreumaux, Philippe et al. | 2008
- 045102
-
Quasihomogeneous nucleation of amyloid beta yields numerical bounds for the critical radius, the surface tension, and the free energy barrier for nucleus formationGarai, K. / Sahoo, B. / Sengupta, P. / Maiti, S. et al. | 2008
- 045103
-
New force replica exchange method and protein folding pathways probed by force-clamp techniqueKouza, Maksim / Hu, Chin-Kun / Li, Mai Suan et al. | 2008
- 045104
-
Conformations of poly{G}–poly{C} π stacks with high hole mobilityVoityuk, Alexander A. et al. | 2008
- 045105
-
Eliminating fast reactions in stochastic simulations of biochemical networks: A bistable genetic switchMorelli, Marco J. / Allen, Rosalind J. / Ta˘nase-Nicola, Sorin / ten Wolde, Pieter Rein et al. | 2008
- 045106
-
Lattice model simulation of interchain protein interactions and the folding dynamics and dimerization of the GCN4 Leucine zipperLiu, Yanxin / Chapagain, Prem P. / Parra, Jose L. / Gerstman, Bernard S. et al. | 2008
- 49901
-
Erratum: Investigation of the photochemistry of the poly {p-phenylenevinylene} precursor system: Implications for nanolithography [J. Chem. Phys. emph TYPE="3">126, 174703 (2007)]Cotton, D.V. et al. | 2008
- 049901
-
Erratum: Investigation of the photochemistry of the poly {p-phenylenevinylene} precursor system: Implications for nanolithography [J. Chem. Phys. 126, 174703 (2007)]Cotton, D. V. / Fell, C. J. / Belcher, W. J. / Tachiya, M. / Dastoor, P. C. et al. | 2008