Journal of Physical Chemistry B

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  Publication Venue For

  • Solvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning Models..  123:901-908. 2019
  • Solvent-Dependent Light-Induced Structures in Gem-Dichlorocyclopropanated Polybutadiene Solutions..  122:6995-7001. 2018
  • Influence of Solvent on the Drug-Loading Process of Amphiphilic Nanogel Star Polymers.  122:5356-5367. 2018
  • Learning about Biomolecular Solvation from Water in Protein Crystals..  122:2475-2486. 2018
  • Nanoparticle-Cell Interactions: Relevance for Public Health..  122:1009-1016. 2018
  • TiO2 Nanoparticle-Induced Oxidation of the Plasma Membrane: Importance of the Protein Corona..  121:8619-8625. 2017
  • Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study.  121:2902-2918. 2017
  • Probing the Link among Genomic Cargo, Contact Mechanics, and Nanoindentation in Recombinant Adeno-Associated Virus 2..  121:1843-1853. 2017
  • Recent Advances in the Theory and Simulation of Model Colloidal Microphase Formers..  120:7775-7782. 2016
  • Simulation and Experiments To Identify Factors Allowing Synthetic Control of Structural Features of Polymeric Nanoparticles.  120:7546-7568. 2016
  • Loop Sequence Context Influences the Formation and Stability of the i-Motif for DNA Oligomers of Sequence (CCCXXX)4, where X = A and/or T, under Slightly Acidic Conditions..  120:7652-7661. 2016
  • Equilibrium Phase Behavior of the Square-Well Linear Microphase-Forming Model..  120:6178-6188. 2016
  • Coarse-Grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise..  120:3624-3633. 2016
  • Correction to "Evaluating the Extent of Intramolecular Charge Transfer in the Excited States of Rhenium(I) Donor-Acceptor Complexes with Time-Resolved Vibrational Spectroscopy"..  120:596. 2016
  • Unveiling Inherent Degeneracies in Determining Population-Weighted Ensembles of Interdomain Orientational Distributions Using NMR Residual Dipolar Couplings: Application to RNA Helix Junction Helix Motifs..  119:9614-9626. 2015
  • Electron Spin Relaxation of Hole and Electron Polarons in π-Conjugated Porphyrin Arrays: Spintronic Implications..  119:7681-7689. 2015
  • Two-Electron Transfer Pathways..  119:7589-7597. 2015
  • Competition between monomeric and dimeric crystals in schematic models for globular proteins..  118:8034-8041. 2014
  • Coarse grained models reveal essential contributions of topological constraints to the conformational free energy of RNA bulges..  118:2615-2627. 2014
  • Evaluating the extent of intramolecular charge transfer in the excited states of rhenium(I) donor-acceptor complexes with time-resolved vibrational spectroscopy..  117:15903-15916. 2013
  • Origins of the helical wrapping of phenyleneethynylene polymers about single-walled carbon nanotubes..  117:12953-12965. 2013
  • Spectroscopic study of a DNA brush synthesized in situ by surface initiated enzymatic polymerization..  117:9929-9938. 2013
  • Concerted proton transfer mechanism of Clostridium thermocellum ribose-5-phosphate isomerase..  117:9354-9361. 2013
  • Distance-independent charge recombination kinetics in cytochrome c-cytochrome c peroxidase complexes: compensating changes in the electronic coupling and reorganization energies..  117:9129-9141. 2013
  • Effect of compressive force on unbinding specific protein-ligand complexes with force spectroscopy..  117:4755-4762. 2013
  • Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length..  117:5574-5584. 2013
  • Utility of 1H NMR chemical shifts in determining RNA structure and dynamics..  117:2045-2052. 2013
  • Water adsorption at two unsolvated peptides with a protonated lysine residue: from self-solvation to solvation..  116:14788-14804. 2012
  • Interaction of Bovine Serum Albumin with Ester-Functionalized Anionic Surface-Active Ionic Liquids in Aqueous Solution: A Detailed Physicochemical and Conformational Study.  116:12479-12488. 2012
  • Catalytic mechanism of 4-oxalocrotonate tautomerase: significances of protein-protein interactions on proton transfer pathways..  116:6889-6897. 2012
  • Floquet analysis for vibronically modulated electron tunneling..  115:5510-5518. 2011
  • Chain stiffness and attachment-dependent attraction between polyelectrolyte-grafted colloids.  114:15886-15896. 2010
  • Excitation of highly conjugated (porphinato)palladium(II) and (porphinato)platinum(II) oligomers produces long-lived, triplet states at unit quantum yield that absorb strongly over broad spectral domains of the NIR..  114:14696-14702. 2010
  • Elucidating solvent contributions to solution reactions with ab initio QM/MM methods..  114:2755-2759. 2010
  • Energetic and entropic forces governing the attraction between polyelectrolyte-grafted colloids.  113:15760-15770. 2009
  • Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine.  113:14465-14472. 2009
  • Continuously infusing hyperpolarized 129Xe into flowing aqueous solutions using hydrophobic gas exchange membranes..  113:12489-12499. 2009
  • First principles effective electronic couplings for hole transfer in natural and size-expanded DNA.  113:9402-9415. 2009
  • Investigation of photoexcited states in porcine eumelanin through their transient radical products..  113:10480-10482. 2009
  • Time-resolved EPR investigation of potential model systems for acrylate polymer main chain radicals based on esters of Kemp's tri-acid.  113:6623-6629. 2009
  • Approximate reconstruction of continuous spatially complex domain motions by multialignment NMR residual dipolar couplings..  113:6173-6176. 2009
  • Mechanism of Cdc25B phosphatase with the small molecule substrate p-nitrophenyl phosphate from QM/MM-MFEP calculations..  113:5217-5224. 2009
  • Tension Amplification in Molecular Brushes in Solutions and on Substrates†.  113:3750-3768. 2009
  • Ultrahigh resolution characterization of domain motions and correlations by multialignment and multireference residual dipolar coupling NMR..  112:16815-16822. 2008
  • Effects of Hofmeister anions on the phase transition temperature of elastin-like polypeptides..  112:13765-13771. 2008
  • Nitrous oxide vibrational energy relaxation is a probe of interfacial water in lipid bilayers.  112:12776-12782. 2008
  • Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding..  112:3168-3176. 2008
  • Structure and dynamics of an extended conjugated NLO chromophore within an amphiphilic 4-helix bundle peptide by molecular dynamics simulation..  112:1350-1357. 2008
  • Subpicosecond protein backbone changes detected during the green-absorbing proteorhodopsin primary photoreaction.  111:11824-11831. 2007
  • Temperature-dependent mechanistic transition for photoinduced electron transfer modulated by excited-state vibrational relaxation dynamics..  111:6829-6838. 2007
  • Water-Mediated Electron Transfer between Protein Redox Centers.  111:3774-3781. 2007
  • Computational study on the relative acidity of acetic acid by the QM/MM method combined with the theory of energy representation.  111:581-588. 2007
  • Water effects on electron transfer in azurin dimers.  110:23796-23800. 2006
  • Synthesis of PtNPs/AQ/Ru(bpy)3(2+) colloid and its application as a sensitive solid-state electrochemiluminescence sensor material..  110:21662-21666. 2006
  • Controlling the diameter of carbon nanotubes in chemical vapor deposition method by carbon feeding..  110:20254-20257. 2006
  • Oxygen reduction reaction catalysts prepared from acetonitrile pyrolysis over alumina-supported metal particles..  110:18374-18384. 2006
  • Maneuvering the surface plasmon resonance of silver nanostructures through shape-controlled synthesis.  110:15666-15675. 2006
  • Self-assembly of silver nanoparticles: synthesis, stabilization, optical properties, and application in surface-enhanced Raman scattering..  110:13436-13444. 2006
  • Self-assembly of silver nanoparticles: synthesis, stabilization, optical properties, and application in surface-enhanced Raman scattering..  110:13436-13444. 2006
  • Generating suspended single-walled carbon nanotubes across a large surface area via patterning self-assembled catalyst-containing block copolymer thin films..  110:10585-10589. 2006
  • Conformationally averaged score functions for electronic propagation in proteins..  110:5747-5757. 2006
  • Synthesis and evolution of PbS nanocrystals through a surfactant-assisted solvothermal route..  110:184-189. 2006
  • Fabrication of ordered catalytically active nanoparticles derived from block copolymer micelle templates for controllable synthesis of single-walled carbon nanotubes.  110:6655-6660. 2006
  • Synthesis and Evolution of PbS Nanocrystals through a Surfactant-Assisted Solvothermal Route.  110:184-189. 2006
  • Fabrication, characterization, and application in SERS of self-assembled polyelectrolyte-gold nanorod multilayered films..  109:19385-19389. 2005
  • Spontaneous fractal aggregation of gold nanoparticles and controlled generation of aggregate-based fractal networks at air/water interface..  109:19213-19218. 2005
  • Layer-by-layer assembly of polyoxometalates into microcapsules..  109:16587-16592. 2005
  • Designed nanostructured pt film for electrocatalytic activities by underpotential deposition combined chemical replacement techniques..  109:15264-15271. 2005
  • Integrated single-walled carbon nanotube/microfluidic devices for the study of the sensing mechanism of nanotube sensors..  109:13406-13408. 2005
  • Langmuir Monolayers of Co Nanoparticles and Their Patterning by Microcontact Printing.  109:13119-13123. 2005
  • Electrochromic multilayer films of tunable color by combination of copper or iron complex and monolacunary dawson-type polyoxometalate..  109:8948-8953. 2005
  • Simulation of electron transfer between cytochrome C2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native proteins and double mutants..  109:7529-7534. 2005
  • Chemical interactions in the surface-enhanced resonance Raman scattering of ruthenium polypyridyl complexes..  109:3310-3318. 2005
  • Simulation of scanning tunneling microscope images of 1,3-cyclohexadiene bound to a silicon surface..  109:1473-1480. 2005
  • Ab initio based calculations of electron-transfer rates in metalloproteins..  109:1618-1625. 2005
  • Creation of cadmium sulfide nanostructures using AFM dip-pen nanolithography.  109:22337-22340. 2005
  • Raman spectroscopy and imaging of ultralong carbon nanotubes.  109:3751-3758. 2005
  • Structure of the ochratoxin a binding site within human serum albumin.  108:16960-16964. 2004
  • Photoionization threshold of eumelanosomes determined using UV free electron laser - Photoelectron emission microscopy.  108:16334-16338. 2004
  • Inelastic electron tunneling erases coupling-pathway interferences.  108:15511-15518. 2004
  • Impact of electronic asymmetry on photoexcited triplet-state spin distributions in conjugated porphyrin oligomers probed via EPR spectroscopy.  108:11893-11903. 2004
  • Surface-enhanced Raman scattering from silver-plated porous silicon.  108:11654-11659. 2004
  • Phase transitions of confined lattice homopolymers.  108:6809-6815. 2004
  • Chemical vapor depositions of single-walled carbon nanotubes catalyzed by uniform fe(2)o(3) nanoclusters synthesized using diblock copolymer micelles..  108:6124-6129. 2004
  • Oriented long single walled carbon nanotubes on substrates from floating catalysts.  107:13251-13254. 2003
  • Binding of ochratoxin a to human serum albumin stabilized by a protein-ligand ion pair.  107:7884-7888. 2003
  • Effect of Short-Range Interactions on Polyelectrolyte Adsorption at Charged Surfaces†.  107:8260-8269. 2003
  • Thermal fluorination and annealing of single-wall carbon nanotubes.  107:5690-5695. 2003
  • Energetics of the electron transfer from bacteriopheophytin to ubiquinone in the photosynthetic reaction center for Rhodopseudomonas viridis: Theoretical study.  107:838-847. 2003
  • Adsorption Isotherms of Polyampholytes at Charged Spherical Particles†.  105:8917-8930. 2001
  • Role of Hydrophobicity on Structure of Polymer−Metal Complexes.  105:5368-5373. 2001
  • Effect of the surface energy barrier on sorbate diffusion in A1PO4-5.  105:2725-2735. 2001
  • Lattice-Oriented Growth of Single-Walled Carbon Nanotubes.  104:6505-6508. 2000
  • Lattice-oriented growth of single-walled carbon nanotubes.  104:6507-6508. 2000
  • Secondary Structure Conformations and Long Range Electronic Interactions in Oligopeptides.  101:2986-2991. 1997