Publications

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Year
Type
Orbital interaction mechanisms of conductance enhancement and rectification by dithiocarboxylate anchoring group
2006
Li, Zhenyu; Kosov, Daniel S. (2006) 'Orbital interaction mechanisms of conductance enhancement and rectification by dithiocarboxylate anchoring group'. Journal of Physical Chemistry Part B, 110 (39):19116-19120. [DOI]
Journal Publication ResearchOnline@JCU
What can be learned about molecular reorientation from single molecule polarization microscopy?
2006
Gelin, M.F.; Kosov, D.S. (2006) 'What can be learned about molecular reorientation from single molecule polarization microscopy?'. Journal of Chemical Physics, 125 (5):1-8. [DOI]
Journal Publication ResearchOnline@JCU
Dithiocarbamate anchoring in molecular wire junctions: a first principles study
2006
Li, Zhenyu; Kosov, Daniel S. (2006) 'Dithiocarbamate anchoring in molecular wire junctions: a first principles study'. Journal of Physical Chemistry Part B, 110 (20):9893-9898. [DOI]
Journal Publication ResearchOnline@JCU
Molecular reorientation in hydrogen-bonding liquids: through algebraic ∼t⁻³∕² relaxation toward exponential decay
2006
Gelin, M.F.; Kosov, D.S. (2006) 'Molecular reorientation in hydrogen-bonding liquids: through algebraic ∼t⁻³∕² relaxation toward exponential decay'. Journal of Chemical Physics, 124 (14):1-8. [DOI]
Journal Publication ResearchOnline@JCU
Self-similarity of single-channel transmission for electron transport in nanowires
2006
Gelin, M.F.; Li, Zhenyu; Kosov, Daniel (2006) 'Self-similarity of single-channel transmission for electron transport in nanowires'. Journal of Chemical Physics, 124 (10):1-5. [DOI]
Journal Publication ResearchOnline@JCU
First-principles calculations of conductance within a plane wave basis set via non-orthogonal Wannier-type atomic orbitals
2006
Li, Zhenyu; Kosov, Daniel (2006) 'First-principles calculations of conductance within a plane wave basis set via non-orthogonal Wannier-type atomic orbitals'. Journal of Physics: Condensed Matter, 18 (4):1347-1358. [DOI]
Journal Publication ResearchOnline@JCU
Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability
2005
Gorbunov, Roman D.; Kosov, Daniel; Stock, Gerhard (2005) 'Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability'. Journal of Chemical Physics, 122 (22):1-12. [DOI]
Journal Publication ResearchOnline@JCU
Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: a new route via implicit differentiation
2005
Doltsinis, Nikos L.; Kosov, D.S. (2005) 'Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: a new route via implicit differentiation'. Journal of Chemical Physics, 122 (14):1-7. [DOI]
Journal Publication ResearchOnline@JCU
Lagrange multiplier based transport theory for quantum wires
2004
Kosov, D.S. (2004) 'Lagrange multiplier based transport theory for quantum wires'. Journal of Chemical Physics, 120 (15):7165-7168. [DOI]
Journal Publication ResearchOnline@JCU
Kohn–Sham equations for nanowires with direct current
2003
Kosov, D.S. (2003) 'Kohn–Sham equations for nanowires with direct current'. Journal of Chemical Physics, 119 (1):1-5. [DOI]
Journal Publication ResearchOnline@JCU