Positions

Overview

  • I received PhD in chemistry at Ohio State University in 2001. After postdoctoral work at University of Chicago and New York University, I came to UNCW as an assistant professor in 2007.

    • Selected Publications

    Academic Article

    Year Title Altmetric
    2022-01-01 Evidence for Participation of 4f and 5d Orbitals in Lanthanide Metal-​Ligand Bonding and That Y(III) Has Less of This Complex-​Stabilizing Ability. A Thermodynamic, Spectroscopic, and DFT Study of Their Complexation by the Nitrogen Donor Ligand TPEN.  Inorg. Chem..  61:4627-4638. 2022-01-01
    2020-01-01 Exciplex formation as an approach to selective Copper (II) sensors.  Inorg. Chim. Acta.  506. 2020-01-01
    2020-01-01 Fluorescence and metal binding properties of the highly preorganized tetradentate ligand 2,2'-Bi-1,10-phenanthroline, and its remarkable affinity for Cadmium (II).  Inorg. Chem..  59. 2020-01-01
    2020-01-01 Fluorescence and metal-binding properties of the highly preorganized tetradentate ligand 2,2’-bi-1,10-phenanthroline and its remarkable affinity for cadmium(II).  Inorg. Chem..  59:13117-13127. 2020-01-01
    2020-01-01 Mono-N-benzyl cyclen: A highly selective, multi-functional "turn-on" fluorescence sensor for Pb2+, Hg2+, and Zn2+.  Polyhedron.  179. 2020-01-01
    2020-01-01 Strategies for a fluorescent sensor with receptor and fluorophore designed for the recognition of heavy metal ions.  Inorg. Chim. Acta.  499. 2020-01-01
    2018-01-01 Exciplex Formation and Aggregation Induced Emission in Di-(N-Benzyl)-cyclen – Selective Fluorescence with Lead(II), and as the Cadmium(II) complex, with the Chloride Ion.  Eur. J. Inorg. Chem.  2018-01-01
    2018-01-01 Indole- based Fluorescence Sensors for both Cations and Anions.  Inorg. Chim. Acta.  482. 2018-01-01
    2017-07-01 Effects of Anion Coordination on the Fluorescence of a Photo-induced Electron Transfer (PET) Sensor Complexed with Metal Ions.  Polyhedron.  130:47. 2017-07-01
    2017-01-01 Effects of Anion Coordination on the Fluorescence of a Photo-induced Electron Transfer (PET) Sensor Complexed with Metal Ions.  Polyhedron.  130. 2017-01-01
    2017-01-01 Effects of Anion Coordination on the Fluorescence of a Photo-induced Electron Transfer (PET) Sensor Complexed with Metal Ions..  Polyhedron.  130. 2017-01-01
    2016-01-01 Coarse- Grained Simulations of Hemolytic Peptide -lysin Translocating Across a POPC Bilayer.  Biochim. Biophys. Acta.  1858. 2016-01-01
    2015-01-01 Spectroscopic, structural, and thermodynamic aspects of the stereochemically active lone pair on lead (II): Structure of the lead(II)-DOTA complex.  Polyhedron.  91. 2015-01-01
    2014-10-01 Peptides with the same composition, hydrophobicity, and hydrophobic moment bind to phospholipid layers with different affinities..  Journal of Physical Chemistry.  12462-12470. 2014-10-01
    2014-08-01 The effect of π-contacts between metal ions and tethered fluorophores on the fluorescence of PET sensors: Implications for sensor design for cations and anions.  Inorganic Chemistry.  53:9014. 2014-08-01
    2014-03-01 Molecular dynamics simulations of hemolytic peptide delta-lysin interacting with a POPC lipid bilayer.  Chemical Communication.  35:783. 2014-03-01
    2014-01-01 Molecular dynamics simulations of hemolytic peptide delta-lysin interacting with a POPC lipid bilayer.  Bull. Kor. Chem. Soc.  35. 2014-01-01
    2014-01-01 Molecular dynamics simulations of hemolytic peptide delta-lysin interacting with a POPC lipid bilayer.  Bulletin of the Korean Chemical Society.  35:783. 2014-01-01
    2014-01-01 Peptides with the same composition, hydrophobicity, and hydrophobic moment bind to phospholipid bilayers with different activities.  J. Phys. Chem. B.  118. 2014-01-01
    2014-01-01 The effect of π-contacts between metal ions and tethered fluorophores on the fluorescence of PET sensors: Implications for sensor design for cations and anions.  Inorg. Chem..  53:9014.. 2014-01-01
    2014-01-01 The possible role of π-contacts between metal ions and tethered fluorophores in controlling chelation enhanced fluorescence in fluorescent sensors: Implications for sensor design for cations and anions.  Inorg. Chem..  53. 2014-01-01
    2013-10-01 The role of fluorophore-metal interaction in photoinduced electron transfer (PET) sensors: Time-dependent density functional theory (TDDFT) study.  Journal of Physical Chemistry A.  117:133345. 2013-10-01
    2013-07-01 Mechanism of chelation enhanced fluorescence in complexes of Cadmium(II). and a possible new type of anion sensor.  Chemical Communication.  49:9749. 2013-07-01
    2013-01-01 Mechanism of chelation enhanced fluorescence in complexes of Cadmium(II). and a possible new type of anion sensor.  Chem. Comm..  49:9749.. 2013-01-01
    2013-01-01 Selectivity of the highly preorganized tetradentate ligand 2,9-Di- (pyrid-2-yl)- 1,10-phenanthroline for metal ions in aqueous solution, including Lanthanide(III) ions and the uranyl(VI) cation..  Inorganic Chemistry.  52:15. 2013-01-01
    2013-01-01 The role of fluorophore-metal interaction in photoinduced electron transfer (PET) sensors: Time-dependent density functional theory (TDDFT) study.  J. Phys. Chem..  A:13345.. 2013-01-01
    2012-09-01 Mechanism of Turn-on fluoroscent sensors for Mercury (II) in solution, and its implications for ligand design.  Inorganic Chemistry.  51:10904. 2012-09-01
    2012-01-01 First principles studies of the electronic properties and catalytic activity of single-walled carbon nanotube doped with Pt clusters and chains.  Chemical Physics.  393:96. 2012-01-01
    2012-01-01 Mechanism of ‘Turn-on’ Fluorescent Sensors for Mercury(II) in Solution, and its Implications for Ligand Design..  Inorg. Chem..  51:10904.. 2012-01-01
    2011-07-01 The unusual metal ion selectivity of the highly preorganized tetradentrate ligand 1,10-phenanthroline-2,9-dicarboxamide: A thermodynamic and fluorescence study.  Inorganic Chemistry.  50:8348. 2011-07-01
    2011-02-01 Molecular dynamics studies of transportan 10 (Tp10) interacting with a POPC bilayer.  Journal of physical chemistry B.  115:1188. 2011-02-01
    2009-12-01 Structural and dynamical properties of the hydrated proton from ab initio molecular dynamics performed in the complete basis set limit.  Physical Review Letter.  103:238302. 2009-12-01
    2009-10-01 Hydroxide anion at the air-water interface.  Chemical Physics Letter.  481:2. 2009-10-01
    2009-02-01 Ab initio molecular dynamics studies of the liquid-vapor interface of HCl solution.  Journal of Physical Chemistry A.  113:2144. 2009-02-01
    2008-12-01 An efficient solution of Poisson's equation using discrete variable representation for Car-Parrinello ab initio molecular dynamics simulation with cluster boundary condition.  Journal of Chemical Physics.  129:224108. 2008-12-01
    2008-06-01 Structure and proton transport mechanisms in the superprotonic phase of CsH2PO4 : An ab initio molecular dynamics study.  Journal of Physical Chemistry C.  112:9917. 2008-06-01
    2007-04-01 Dynamical properties of liquid water from ab initio molecular dynamics in the complete basis set limit.  Journal of Chemical Physics.  126:164501. 2007-04-01
    2006-10-01 Structure of liquid water at ambient temperature from ab initio molecular dynamics in the complete basis set limit.  Journal of Chemical Physics.  125:154507. 2006-10-01
    2006-04-01 Ab initio molecular dynamics simulation with discrete variable representation basis sets: Techniques and application to liquid water.  Journal of Physical Chemistry A.  110:5549. 2006-04-01
    2005-09-01 Efficient evaluation of nonlocal pseudopotentials via Euler exponential spline interpolation.  ChemPhysChem.  6:1827. 2005-09-01
    2004-04-01 Vibrational energy levels of ozone up to dissociation revisited.  Journal of Chemical Physics.  120:5859. 2004-04-01
    2004-03-01 Iterative solutions with energy selected bases for the highly excited vibrations of tetra-atomic molecules.  Journal of Chemical Physics.  120:4626. 2004-03-01
    2003-01-01 Zeolite-mediated photochemical charge separation using a surface-entrapped ruthenium polypyridyl complex.  Inorg. Chem..  42:4215.. 2003-01-01
    2002-01-01 Charge transport through novel zeolite Y membrane by a self exchange process.  J. Phys. Chem..  106:11898.. 2002-01-01
    2000-01-01 Synthesis of free-standing chabazite-type films.  Microporous and Mesoporous Materials.  38:151.. 2000-01-01

    Chapter

    Year Title Altmetric
    2004-01-01 Molecular dynamics: energy selected bases.  Theory of Chemical Reaction Dynamics (NATO science series). 231. 2004-01-01

    Presentations

    Research Overview

  • The main thrust of our research is to explore chemical reactions in complex condensed phase media via state-of-art computational methods, with particular emphases on applications relevant to nanoscience, fuel cell technology, biology and interfacial chemistry. Computational projects will be accompanied by theoretical developments in electronic structure calculations and ab initio molecular dynamics simulation.

    • Principal Investigator On

    Co-principal Investigator On

    Investigator On

    Teaching Overview

  • I consider the ultimate goal of teaching is to motivate students so that they can learn on their own and become independent thinker. My primary teaching interest is physical chemistry and computational chemistry. These area of study require fair amount of background knowledge in mathematics and physics. I would love to teach students how to apply what they learned in math and physics to chemistry problems.I also believe that integrating current technology into classroom is very useful to help students understand difficult concepts in physical chemistry. In particular, effective use of the internet as a source of virtual experiment help student transform an abstract concepts into a tangible example. These examples are also listed on my class website. I am also interested in revising physical chemistry laboratory course. In particular, I'd like to incorporate my expertise in computational chemistry into CHML321 and CHML420. The main motivation behind the incorporation of computational projects is that many difficult concepts in physical chemistry can be dealt with via "in-silico" experiments, which are, otherwise, impossible through traditional "wet" experiments.

    • Full Name

  • Hee-Seung Lee