Selected Peer-Reviewed Publications


    (Recent publications list also - more or less regularly - updated at Google Scholar Google Scholar)

  1. I. Baldea, Y. Chen, M. Zhang, N. Xin, Y. Feng, J. Feng, C. Jia, X. Guo, Z. Xie
    Breakdown of Ohm's Law in Molecular Junctions with Electrodes of Single-Layer Graphene
    J. Phys. Chem. Lett. 15 (2024) 3267
  2. I. Baldea
    Dichotomy between Level Broadening and Level Coupling to Electrodes in Large Area EGaIn Molecular Junctions
    J. Phys. Chem. Lett. 15 (2024) 2916 (preprint chemRxiv here)
  3. I. Baldea
    Gaining insight into molecular tunnel junctions with a pocket calculator without I-V data fitting. Five-thirds protocol
    Phys. Chem. Chem. Phys. 26     (2024) 8724 (Open access) (preprint arXiv here)
  4. I. Baldea
    Comment on "A single level tunneling model for molecular junctions: evaluating the simulation methods" by Opodi et al
    Phys. Chem. Chem. Phys. 26 (2024) 7230     (Open access) (preprint chemRxiv here)
  5. Y. Chen, I. Baldea, Y. Yu, Z. Liang, M.-D. Li, E. Koren and Z. Xie
    CP-AFM Molecular Tunnel Junctions with Alkyl Backbones Anchored Using Alkynyl and Thiol Groups: Microscopically Different Despite Phenomenological Similarity
    Langmuir 40 (2024) 4410     (Open access)
  6. I. Baldea
    Can tunneling current in molecular junctions be so strongly temperature dependent to challenge a hopping mechanism? Analytical formulas answer this question and provide important insight into large area junctions
    Phys. Chem. Chem. Phys. 26 (2024) 6540     (Open access) (preprint chemRxiv here)
  7. I. Baldea
    Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Derivatives: A Quantum Chemical Attempt Aiming to Assist Drug Development
    Adv. Theory Simul. (2024) 2301123 DOI: 10.1039/D3CP05046G     (preprint chemRxiv here)
  8. I. Baldea
    Can room temperature data for tunneling molecular junctions be analyzed within a theoretical framework assuming zero temperature?
    Phys. Chem. Chem. Phys. 25 (2023) 19750     (preprint chemRxiv here)
  9. I. Baldea
    Estimating the Number of Molecules in Molecular Junctions Merely Based on the Low Bias Tunneling Conductance at Variable Temperature
    Int. J. Mol. Sci. 23 (2022) 14985     (Open access)
  10. I. Baldea
    Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled. Comment on Pandithavidana, D.R.; Jayawardana, S.B. Comparative Study of Antioxidant Potential of Selected Dietary Vitamins; Computational Insights. Molecules 2019, 24, 1646
    Molecules 27 (2022) 8092     (Open access )
  11. I. Baldea
    Chemical bonding in representative astrophysically relevant neutral, cation, and anion HCnH chains
    Chin. Phys. B 31 123101 (2022) DOI 10.1088/1674-1056/ac9b04     Invited paper for the Third Carbon Special Topic (preprint chemRxiv here)
  12. I. Baldea
    Critical analysis of radical scavenging properties of atorvastatin in methanol recently estimated via density functional theory
    Comp. Theor. Chem. 1217 (2022) 113898 (viewpoint article) (preprint chemRxiv here)
  13. I. Baldea
    Why Ortho- and Para-Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry
    Molecules 27 (2022) 5036 (Open access ) Invited paper to the Commemorative Special Issue Honoring Professor Donald Truhlar
  14. I. Baldea
    Comprehensive Quantum Chemical Characterization of the Astrochemically Relevant HCnH Chain Family. An Attempt to Aid Astronomical Observations
    Adv. Theory Simul. 5 (2022) 202200244 (Open access )
  15. I. Baldea
    HCnH- Anion Chains with n \leq 8 are Nonlinear and Their Permanent Dipole Makes Them Potential Candidates for Astronomical Observation
    Molecules 27 (2022) 3100     (Open access ) Invited paper to the Commemorative Special Issue Honoring Professor Donald Truhlar
  16. I. Baldea
    Exact Analytic Formula for Conductance Predicting a Tunable Sommerfeld-Arrhenius Thermal Transition within a Single-Step Tunneling Mechanism in Molecular Junctions Subject to Mechanical Stretching
    Adv. Theory Simul. 5 (2022) 202200158 (Open access )
  17. I. Baldea
    Are Asymmetric SAM-Induced Work Function Modifications Relevant for Real Molecular Rectifiers?
    Adv. Theory Simul. 5 (2022) 202200077     (Open access )
  18. I. Baldea
    Alternation of Singlet and Triplet States in Carbon-Based Chain Molecules and Its Astrochemical Implications. Results of an Extensive Theoretical Study
    Adv. Theory Simul. 5 (2022) 2100480
  19. Z. Xie, I. Baldea, Q. Nguyen and C. D. Frisbie
    Quantitative Analysis of Weak Current Rectification in Molecular Tunnel Junctions Subject to Mechanical Deformation Reveals Two Different Rectification Mechanisms for Oligophenylene Thiols versus Alkane Thiols
    Nanoscale 13(39), 16755 (2021)
  20. I. Baldea
    Why asymmetric molecular coupling to electrodes cannot be at work in real molecular rectifiers
    Phys. Rev. B 103(19), 195408 (2021)
  21. I. Baldea
    What Can We Learn from the Time Evolution of COVID-19 Epidemic in Slovenia?
    Advanced Theory and Simulations 4(7), 2000225 (2021) (Open access) (most downloaded during its 12 months of publication in an issue between 1 Jan - 31 Dec 2021)
  22. I. Baldea
    Self-assembled monolayers of oligophenylenes stiffer than steel and silicon, possibly even stiffer than Si3N4
    Appl. Surf. Sci. Adv. 5C 100094 (2021) (Open access)
  23. I. Baldea
    Correction to Extensive Quantum Chemistry Study of Neutral and Charged C4N Chains: An Attempt to Aid Astronomical Observations
    ACS Earth Space Chem. 5(12), 3523 (2021)
  24. I. Baldea
    Suppression of Groups Intermingling as Appealing Option For Flattening and Delaying the Epidemiologic Curve While Allowing Economic and Social Life at Bearable Level During COVID-19 Pandemic
    Advanced Theory and Simulations 3 (2020) 2000132 (Open access)
  25. I. Baldea
    Profiling Astrophysically Relevant MgC4H chains. An Attempt to Aid Astronomical Observations
    Monthly Notices of the Royal Astronomical Society 498 (2020) 4316
  26. I. Baldea
    Profiling C4N Radicals of Astrophysical Interest
    Monthly Notices of the Royal Astronomical Society 493 (2020) 2506
  27. I. Baldea
    Extensive Quantum Chemistry Study of Neutral and Charged C4N Chains: An Attempt to Aid Astronomical Observations
    ACS Earth Space Chem. 4 (2020) 434
  28. I. Baldea
    Evidence that Molecules in Molecular Junctions May not Be Subject to the Entire External Perturbation Applied to Electrodes
    Langmuir 36 (2020) 1329
  29. Z. Xie, I. Baldea, and C. D. Frisbie
    Energy Level Alignment in Molecular Tunnel Junctions by Transport and Spectroscopy: Self-Consistency for the Case of Alkyl Thiols and Dithiols on Ag, Au, and Pt Electrodes
    J. Am. Chem. Soc. 141 (2019) 18182
  30. I. Baldea
    Alternation of Singlet and Triplet States in Carbon-Based Chain Molecules and Its Astrochemical Implications. Results of an Extensive Theoretical Study
    Adv. Theory Simul. 2 (2019) 1900084
  31. I. Baldea
    Impact of molecular conformation on transport and transport-related properties at the nanoscale
    Appl. Surf. Sci. 487 (2019) 593-600
  32. I. Baldea
    Long Carbon-Based Chains of Interstellar Medium Can Have a Triplet Ground State. Why Is This Important for Astrochemistry?
    ACS Earth Space Chem. 3 (2019) 863-872
    Included in the Virtual Issue Astrochemistry: From the Chemical Laboratory to the Stars
  33. Z. Xie, I. Baldea, and C. D. Frisbie
    Determination of Energy Level Alignment in Molecular Tunnel Junctions by Transport and Spectroscopy: Self-Consistency for the Case of Oligophenylene Thiols and Dithiols on Ag, Au, and Pt Electrodes
    J. Am. Chem. Soc.141 (2019) 3670-3681
  34. Z. Xie, I. Baldea, G. Haugstad and C. D. Frisbie
    Mechanical Deformation Distinguishes Tunneling Pathways in Molecular Junctions
    J. Am. Chem. Soc.141 (2019) 497-504
  35. I. Baldea
    Specific Issues Related to the Law of Corresponding States for the Charge Transport in Molecular Junctions Based on Graphene Electrodes
    Appl. Surf. Sci. 474 (2019) 256-261
  36. I. Baldea
    A novel route to get functionality in nanoelectronics: controlling the charge transport by the subtle impact of the coverage of self-assembled monolayers on the conformation of floppy molecules adsorbed on metallic electrodes
    Appl. Surf. Sci. 472 (2019) 16-21
  37. I. Baldea
    A Sui Generis Electrode-Driven Spatial Confinement Effect Responsible for Strong Twisting Enhancement of Floppy Molecules in Closely Packed Self-Assembled Monolayers
    Phys. Chem. Chem. Phys. 20 (2018) 23492-23499
  38. Z. Xie, I. Baldea and C. D. Frisbie
    Why One Can Expect Large Rectification in Molecular Junctions Based on Alkane Monothiols and Why Rectification Is So Modest
    Chem. Sci. 9 (2018) 4456-4467
  39. C. E. Smith, Z. Xie, I. Baldea and C. D. Frisbie
    Work Function and Temperature Dependence of Electron Tunneling through an N-Type Perylene Diimide Molecular Junction with Isocyanide Surface Linkers
    Nanoscale 10 964-975 (2018)
  40. I. Baldea
    Floppy Molecules as Candidates for Achieving Optoelectronic Molecular Devices without Skeletal Rearrangement or Bond Breaking
    Phys. Chem. Chem. Phys. 19 (2017) 30842-30851
  41. D. Amabilino, I. Baldea, O. Barykina et al,
    Preparing macromolecular systems on surfaces: general discussion
    Faraday Disc. 204 (2017) 395-418. Publication in Faraday Discussions theme issue "Complex Molecular Surfaces and Interfaces" (24-26 July 2017, Sheffield, UK)
  42. D. Amabilino, I. Baldea, P. Besenius et al,
    Supramolecular systems at liquid-solid interfaces: general discussion
    Faraday Disc. 204 (2017) 271-295. Publication in Faraday Discussions theme issue "Complex Molecular Surfaces and Interfaces" (24-26 July 2017, Sheffield, UK)
  43. D. Amabilino, I. Baldea, J. Batteas et al,
    Supramolecular effects in self-assembled monolayers: general discussion
    Faraday Disc. 204 (2017) 123-158. Publication in Faraday Discussions theme issue "Complex Molecular Surfaces and Interfaces" (24-26 July 2017, Sheffield, UK)
  44. D. Amabilino, I. Baldea, J. Batteas et al,
    Probing properties of molecule-based interface systems: general discussion and Discussion of the Concluding Remarks
    Faraday Disc. 204 (2017) 503-530. Publication in Faraday Discussions theme issue "Complex Molecular Surfaces and Interfaces" (24-26 July 2017, Sheffield, UK)
  45. I. Baldea
    Important Issues Related to the Law of Corresponding States for the Charge Transport in Molecular Junctions with Graphene Electrodes
    Org. Electron. 49 (2017) 19-23
  46. I. Baldea
    A surprising way to control the charge transport in molecular electronics: the subtle impact of the coverage of SAM of floppy molecules adsorbed on electrodes
    Faraday Disc. 204 (2017) 35-52. Publication in Faraday Discussions theme issue "Complex Molecular Surfaces and Interfaces" (24-26 July 2017, Sheffield, UK)
  47. Z. Xie, I. Baldea, A. Demissie, C. Smith, Y. Wu, G. Haugstad, and C. D. Frisbie
    Exceptionally Small Statistical Variations in the Transport Properties of Metal-Molecule-Metal Junctions Composed of 80 Oligophenylene Dithiol Molecules
    J. Am. Chem. Soc. (Communication) 139 (2017) 5696 (freely available via an ACS ID, which is free and available to everyone)
  48. I. Baldea
    Protocol for Disentangling the Thermally Activated Contribution to the Tunneling-Assisted Charge Transport. Analytical Results and Experimental Relevance
    Phys. Chem. Chem. Phys. 19 11759-11770 (2017) (highlighted on the PCCP cover)
  49. I. Baldea
    Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against Ab Initio Calculations
    J. Phys. Chem. A 121 (2017) 2282(freely available via an ACS ID, which is free and available to everyone)
  50. I. Baldea
    Vibrational Properties of Fractionally Charged Molecules and Their Relevance for Molecular Electronics and Electrochemistry
    Chem. Phys. 482 (2017) 311
  51. Z. Xie, I. Baldea, S. Oram, C. Smith, and C. D. Frisbie
    Effect of Heteroatom Substitution on Transport in Alkanedithiol-Based Molecular Tunnel Junctions: Evidence for Universal Behavior
    ACS Nano 11 (2017) 569 (freely available via an ACS ID, which is free and available to everyone)
  52. I. Baldea
    Scaling properties and related issues in the charge transport through molecular junctions
    Materials Today: Proceedings 4 (2017) 11519
  53. I. Baldea
    Tuning the conformation of floppy molecules by charge transfer
    RSC Adv. (Communication) 6 (2016) 111903 (Open access)
  54. I. Baldea
    Fractional molecular charge studied via molecular vibrational properties. Specific aspects in Jahn-Teller active molecular species
    RSC Adv. 6 (2016) 92715 (Open access)
  55. I. Baldea
    Important impact of the experimental platform on the efficient control of electronic and vibrational properties of molecular junctions
    Int. J. Nanotechnol. 13 no 8/9, (2016) 685
  56. I. Baldea
    Invariance of molecular charge transport upon changes of extended molecule size and several related issues
    Beilstein Journal of Nanotechnology 7 (2016) 418 (Open Access)
  57. I. Baldea
    Counterintuitive issues in the charge transport through molecular junctions
    Phys. Chem. Chem. Phys. 17 (2015) 31260 (Open Access)
  58. I. Baldea
    Transition Voltage Spectroscopy: An Appealing Tool of Investigation in Molecular Electronics
    in     Molecular Electronics: An Experimental and Theoretical Approach (edited by I. Baldea) Pan Stanford (2015)
  59. I. Baldea (Editor)
    Molecular Electronics: An Experimental and Theoretical Approach
    Pan Stanford (2015)
  60. Z. Xie, I. Baldea, C. Smith, Y. Wu, and C. D. Frisbie
    Experimental and Theoretical Analysis of Nanotransport in Oligophenylene Dithiol Junctions as a Function of Molecular Length and Contact Work Function
    ACS Nano 9 (2015) 8022 (freely available via an ACS ID, which is free and available to everyone)
  61. I. Baldea
    Important issues facing model-based approaches to tunneling transport in molecular junctions
    Phys. Chem. Chem. Phys. 17 (2015) 20217 (Open Access)
  62. I. Baldea, Z. Xie and C. D. Frisbie
    Uncovering a law of corresponding states for electron tunneling in molecular junctions
    Nanoscale 7 (2015) 10465 (Open Access)
  63. I. Baldea
    Important impact of the molecule-electrode couplings asymmetry on the efficiency of bias-driven redox processes in molecular junctions
    Phys. Chem. Chem. Phys. 17 (2015) 15756 (Open Access)
  64. J. Hodgkiss, G. Conboy, G. Hutchings, S. Higgins, I. Galbraith, N. Findlay, R. Taylor, M. Salle, S. Zhang, G. Frey, I. Baldea, I. Samuel, B. Ebenhoch, F. Wudl, A. Turak, B. Xu, E. Angioni, R. Venkatramani, U. Lemmer, D. Perepichka, A. Kanibolotsky, P. Skabara, J. Wildman, E. Zysman-Colman, D. Bradley, I. McCulloch, J. McDouall, S. Ponomarenko, J. Nelson, J.-S. Kim
    Organic photovoltaics and energy: general discussion
    Faraday Discuss.174 (2014) 341
  65. J. Hodgkiss, E. Zysman-Colman, S. Higgins, G. Solomon, I. Baldea, I. Samuel, L. Venkataraman, F. Wudl, B. Xu, R. Venkatramani, H. Ottosson, D. Perepichka, U. Lemmer, P. Skabara, A. Mount, D. Bradley
    Molecular electronics: general discussion
    Faraday Discuss. 174 (2014) 125
  66. I. Baldea
    Electrochemical setup - a unique chance to simultaneously control orbital energies and vibrational properties of single-molecule junctions with unprecedented efficiency
    Phys. Chem. Chem. Phys. 16 (2014) 25942
  67. I. Baldea
    Quantifying the relative molecular orbital alignment for molecular junctions with similar chemical linkage to electrodes
    Nanotechnology 25 (2014) 455202
  68. I. Baldea
    Concurrent conductance and transition voltage spectroscopy study of scanning tunneling microscopy vacuum junctions. Does it unravel new physics?
    RSC Adv. 4 (2014) 33257
  69. I. Baldea
    A quantum chemical study from a molecular transport perspective: ionization and electron attachment energies for species often used to fabricate single-molecule junctions
    Faraday Discuss. 174 (2014) 35
  70. I. Baldea and H. Koeppel
    From Quantum-Dot Nanorings to Polyacetylene via Small Annulenes. A Full Configuration Interaction Description Based on an Extended Hubbard--Su-Schrieffer-Heeger Model
    J. Nanomater. Mol. Nanotechnol. 3 (2014) 1
  71. I. Baldea
    Single-Molecule Junctions Based on Bipyridine: Impact of an Unusual Reorganization on the Charge Transport
    J. Phys. Chem. C 118 (2014) 8676 (freely available via an ACS ID, which is free and available to everyone)
  72. I. Baldea
    Important Insight into Electron Transfer in Single−Molecule Junctions Based on Redox Metalloproteins from Transition Voltage Spectroscopy
    J. Phys. Chem. C 117 (2013) 25798 (freely available via an ACS ID, which is free and available to everyone)
  73. I. Baldea
    Demonstrating why DFT−calculations for molecular transport in solvents need scissor corrections
    Electrochem. Commun. 36 (2013) 19
  74. I. Baldea
    Transition voltage spectroscopy reveals significant solvent effects on molecular transport and settles an important issue in bipyridine−based junctions
    Nanoscale 5 (2013) 9222.
    Featured by Reginnovations.
  75. I Baldea, H Koeppel and W. Wenzel
    (4, 4')−Bipyridine in vacuo and in solvents: A quantum chemical study of a prototypical floppy molecule from a molecular transport perspective
    Phys. Chem. Chem. Phys. 15 (2013) 1918
  76. I. Baldea
    Extending the Newns−Anderson model to allow nanotransport studies through molecules with floppy degrees of freedom
    Europhys. Lett. 99 (2012) 47002
  77. I. Baldea
    Transition voltage spectroscopy: Artefacts of the Simmons approach
    J. Phys. Chem. Solids 73 (2012) 1151
  78. I. Baldea
    Interpretation of stochastic events in single−molecule measurements of conductance and transition voltage spectroscopy
    J. Am. Chem. Soc. 134 (2012) 7958 (freely available via an ACS ID, which is free and available to everyone)
  79. I. Baldea and H. Koeppel
    Transition voltage spectroscopy in vacuum break junction: the standard tunneling barrier model and beyond
    Phys. Stat. Solidi (b) 249 (2012) 1791
  80. I. Baldea
    Transition voltage spectroscopy in vacuum break junction: Possible role of surface states
    Europhys. Lett. 98 (2012) 17010
  81. I. Baldea and H. Koeppel
    A physical limitation of the Wigner ``distribution'' function in molecular transport
    Phys. Lett. A 376 (2012) 1645
  82. I. Baldea and H. Koeppel
    Evidence on single−molecule transport in electrostatically−gated molecular transistors
    Phys. Lett. A 376 (2012) 1472
  83. I. Baldea
    Effects of stochastic fluctuations at molecule−electrode contacts in transition voltage spectroscopy
    Chem. Phys. 400 (2012) 65
  84. I. Baldea
    Ambipolar transition voltage spectroscopy: Analytical results and experimental agreement
    Phys. Rev. B 85 (2012) 035442
  85. I. Baldea and H. Koeppel
    Reply to "Comment on 'Critical analysis of a variational method used to describe molecular electron transport'"
    Phys. Rev. B 84 (2011) 037305
  86. I. Baldea
    Revealing molecular orbital gating by transition voltage spectroscopy
    Chem. Phys. 377 (2010) 15
  87. I. Baldea and H. Koeppel
    Reply to "Comment on `Electron transport through correlated molecules computed using the time-independent Wigner function: Two critical tests' "
    Phys. Rev. B 82 (2010) 087302
  88. I. Baldea, H. Koeppel, R. Maul and W. Wenzel
    Applying the extended molecule approach to correlated electron transport: Important insight from model calculations
    J. Chem. Phys. 82 (2010) 087302
  89. I. Baldea and L. S. Cederbaum
    Quantum−dot nanorings
    in: Handbook of Nanophysics (Nanotubes and Nanowires), ed. K. Sattler, Taylor and Francis, Boca Raton (2010)
  90. I. Baldea, H. Koeppel and L. S. Cederbaum
    Characterization of assembled quantum dots and single−electron transistors by photoemission and photoabsorption
    Phys. Stat. Solidi C7 11-12 (2010) 2671
  91. I. Baldea and Koeppel
    Sources of negative differential resistance in electric nanotransport
    Phys. Rev. B, 81 (2010) 193401
  92. I. Baldea and H. Koeppel
    Single-electron transistors studied by microwave and far-infrared absorption: Theoretical results and experimental proposal
    Phys. Rev. B 81 (2010) 125322
  93. I. Baldea and H. Koeppel
    Photoionization and Far Infrared Absorption of Single-Electron Transistors: Theoretical Results and Experiment Proposals
    e-J. Surf. Sci. Nanotech. 8 (2010) 1-5
  94. I. Baldea and H. Koeppel
    Critical analysis of a variational method used to describe molecular electron transport
    Phys. Rev. B 80 (2009) 165301
  95. I. Baldea and H. Koeppel
    Studying the single-electron transistor by photoionization
    Phys. Rev. B 79 (2009) 165317 (selected for the May 4, 2009 issue of Virtual Journal of Nanoscale Science & Technology, http://www.vjnano.org)
  96. I. Baldea, L. S. Cederbaum and J. Schirmer
    Intriguing electron correlation effects in the photoionization of metallic quantum-dot nanorings
    Eur. Phys. J. B 69 (2009) 251-264
  97. I. Baldea and H. Koeppel
    Critical analysis of a variational method used to describe molecular electron transport [Phys. Rev. B 80, 165301 (2009)]
    Phys. Rev. B 80 (2009) 209902(E)
  98. I. Baldea and L. S. Cederbaum
    Unusual scarcity in the optical absorption of metallic quantum-dot nanorings described by the extended Hubbard model
    Phys. Rev. B 77 (2008) 165339 (selected for the May 12, 2008 issue of Virtual Journal of Nanoscale Science & Technology, http://www.vjnano.org)
  99. I. Baldea and L. S. Cederbaum
    Unusual features in optical absorption and photo--ionisation of quantum--dot nano--rings
    in: Frontiers in Quantum Systems in Chemistry and Physics. Progress in Theoretical Chemistry and Physics, eds. S. Wilson, P. J. Grout,G. Delgado-Barrio, J. Maruani and P. Piecuch (Springer Science + Business Media B. V., vol. 18 (2008), pp. 273--287, doi 10.1007/978-1-4020-8707-3, isbn = 978-1-4020-8706-6 (Print) 978-1-4020-8707-3 (Online)
  100. I. Baldea and H. Koeppel
    Electron transport through correlated molecules computed using the time-independent Wigner function: Two critical tests
    Phys. Rev. B 78 (2008) 115315
  101. E. Gindensperger, I. Baldea, J. Franz, and H. Koeppel
    Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
    Chem. Phys. 338 (2007) 207-219
  102. I. Baldea, B. Schimmelpfennig, M. Plaschke, J. Rothe, J. Schirmer, A. B. Trofimov, and Th. Fanghänel
    C 1s near edge X-ray absorption fine structure (NEXAFS) of substituted benzoic acids--A theoretical and experimental study
    J. Electron Spectr. Rel. Phen. 154 (2007) 109-118
  103. I. Baldea, J. Franz and H. Koeppel
    Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
    J. Molec. Struct. 838 (2007) 94-99
  104. I. Baldea and L. S. Cederbaum
    Hidden quasisymmetry in the optical absorption of quantum dot nanorings
    Phys. Rev. B 75 (2007) 125323 (selected for the April 9, 2007 issue of Virtual Journal of Nanoscale Science & Technology, http://www.vjnano.org)
  105. I. Baldea and H. Koeppel
    Multistate multimode vibronic dynamics: Entanglement of electronic and vibrational degrees of freedom in the benzene radical cation
    J. Chem. Phys. 124 (2006) 064101
  106. I. Baldea, J. Franz, P. G. Szalay, and H. Koeppel
    Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
    Chem. Phys. 329 (2006) 65-75
  107. I. Baldea, A. K. Gupta, L. S. Cederbaum, and N. Moiseyev
    High-harmonic generation by quantum-dot nanorings
    Phys. Rev. B. 69 (2004) 245311 (selected for Virtual Journal of Nanoscale Science & Technology, http://www.vjnano.org)
  108. I. Baldea and H. Koeppel
    Three-dimensional vibronic analysis of the B system of Na3
    Eur. Phys. J. D - Atomic, Molecular, Optical and Plasma Physics 30 (2004) 209-215
  109. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Impact of phonons on quantum phase transitions in nanorings of coupled quantum dots
    Phys. Rev. B 69 (2004) 075307 (selected for Virtual Journal of Nanoscale Science & Technology, http://www.vjnano.org)
  110. H. Koeppel, I. Baldea, and P. G. Szalay
    Combined Jahn-Teller and Pseudo-Jahn-Teller Effects in the Benzene Radical Cation
    Adv. Quant. Chem.. 44 (2003) 199-217
  111. I. Baldea and L. S. Cederbaum
    Orbital Picture of Ionization and Its Breakdown in Nanoarrays of Quantum Dots
    Phys. Rev. Lett..     89 (2002) 133003 (selected for Virtual Journal of Nanoscale Science & Technology, 6 (12) (14 Sept, 2002))
  112. H. Koeppel, M. Doescher, I. Baldea, H.-D. Meyer, and P. G. Szalay
    Multistate vibronic interactions in the benzene radical cation. II. Quantum dynamical simulations
    J. Chem. Phys. 117 (2002) 2657-2671
  113. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Tunneling-driven quantum phase transitions in mesoscopic commensurate systems
    Synthetic Metals 119 (2001) 561
  114. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Collective quantum tunneling of strongly correlated electrons in commensurate mesoscopic rings
    Eur. Phys. J. B     20 (2001) 289-299
  115. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Symmetry-adapted BCS-type trial wave functions for mesoscopic rings
    Phys. Rev. B 63 (2001) 155308 (selected for Virtual Journal of Nanoscale Science & Technology, http://www.vjnano.org)
  116. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Tunneling-driven quantum phase transitions in mesoscopic commensurate systems of strongly correlated electrons
    Solid State Commun. 115 (2000) 593-597
  117. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Structural and magnetic transitions in ensembles of mesoscopic Peierls rings in a magnetic flux
    Phys. Rev. B 60 (1999) 6646-6654
  118. I. Baldea, H. Koeppel, L. S. Cederbaum
    Quantum Phonon Fluctuations in Mesoscopic Dimerized Systems
    J. Phys. Soc. Jpn. 68 (1999) 1954-1962
  119. I. Baldea and H. Koeppel and L. S. Cederbaum
    Electronic and lattice excitations in nonuniform one-dimensional clusters
    Synthetic Metals 102 (1999) 1581-1584
  120. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Structural change in mesoscopic Peierls chains
    Synthetic Metals 101 (1999) 394-397
  121. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Quantum phonon fluctuations in mesoscopic Peierls rings threaded by a magnetic flux
    Synthetic Metals 101 (1999) 345-346
  122. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Interplay between dia- and paramagnetism in ensembles of mesoscopic Peierls rings in a magnetic flux
    Solid State Commun. 108 (1998) 607-612
  123. I. Baldea, H. Koeppel, L. S. Cederbaum
    How small can a Peierls dimerized chain be?
    Solid State Commun. 106 (1998) 733-737
  124. I. Baldea, H. Koeppel, and L. S. Cederbaum
    The smooth structural change in mesoscopic Peierls chains
    Eur. Phys. J. B 3 (1998) 507-515
  125. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Finite-size effects and quantum phonon fluctuations in the optical absorption edge of dimerized chains
    Phys. Rev. B 55 (1997) 1481-1485
  126. I. Baldea, H. Koeppel, and L. S. Cederbaum
    Weak pinning of the charge-density wave revisited
    Synthetic Metals 86 (1997) 2225
  127. I. Baldea, H. Koeppel and L. S. Cederbaum
    Electron-phonon coupling in a one-band MX-chain model. A numerical study
    Synthetic Metals 86 (1997) 2221
  128. I. Baldea and L. S. Cederbaum, and H. Koeppel
    Effect of quantum phonon fluctuations on optical properties of finite semiconducting chains. Adiabatic and nonadiabatic results
    Synthetic Metals 85 (1997) 1101
  129. I. Baldea, L. S. Cederbaum, and H. Koeppel
    Analytical Explanation for Numerical Simulation Results on CDW
    J. Phys. Soc. Jpn. 64 (1995) 356-359
  130. I. Baldea, H. Koeppel and L. S. Cederbaum
    Analytical results in CDW systems beyond the strong pinning limit
    Solid State Commun. 93 (1995) 817-821
  131. W. Aichmann and I. Baldea
    The role of life-time effects in pinned CDW systems
    Solid State Commun. 93 (1995) 183-187
  132. I. Baldea, H. Koeppel and L. S. Cederbaum
    Coexistence of short- and large-scale phase variations in a charge-density wave weakly coupled to impurities
    Phys. Rev. B 52 (1995) 11845-11852
  133. I. Baldea
    Individual versus collective pinning in charge-density-wave systems with impurties
    Phys. Rev. B 51 (1995) 1495-1506
  134. I. Baldea
    Interplay between life-time and pinning effects in alloyed CDW systems
    Solid State Commun. 90 (1994) 717-721
  135. I. Baldea and M. Anghel
    Impurity effect on the two-dimensional spin density wave
    Physica Scripta 48 (1993) 497
  136. I. Baldea and M. Badescu
    Quasiregular impurity distribution driven by a charge-density wave
    Phys. Rev. B 48 (1993) 8619-8628
  137. W. Aichmann and I. Baldea
    Life-Time and Pinning Effects in CDW Systems
    J. de Physique IV (Paris) C-2 3 (1993) 71-74
  138. I. Baldea and M. Badescu
    Interplay Between Disorder and Quasi--Regularity in CDW Systems
    J. de Physique IV (Paris) C-2 33 369-372
  139. I. Baldea
    Possible correlation of the anomalous thermal behavior of NbSe3 to mobile defects
    Mod. Phys. Lett. B 5 (1991) 1013-1017
  140. I. Baldea
    Reentrant charge-density wave in the one-dimensional system with impurities - A self-consistent approach
    Physica Scripta 42 (1990) 749
  141. I. Baldea
    On the gapless charge-density wave state of heavily ClO4-doped polyacetylene
    Synthetic Metals 38 (1990) 253-257
  142. I. Baldea and M. Badescu
    On the effect of impurities in the one-dimensional electron-phonon system
    Physica Scripta 40 (1989)
  143. I. Baldea
    Spin susceptibility of doped CDW system
    Solid State Commun. 66 (1988) 1205-1209
  144. I. Baldea
    Effect of a Statistical Distribution of the Fermi Wave Vector Values in One-Dimensional Electron-Phonon System
    Rev. roum. phys. 33 (1988) 69-79
  145. I. Baldea
    On the properties of the quasi-one-dimensional compound NbSe3 doped with tantalum
    Synthetic Metals 20 (1987) 379-381
  146. I. Baldea
    Phenomenological Treatment of the Departure from the Picture of Ideal One-Dimensional Conductor
    phys. stat. solidi (b) 143 (1987) 557-567
  147. I. Baldea
    Interplay between disorder and 2kF-regularity of the impurity distribution in the Peierls-CDW state
    Solid State Commun. 63 (1987) 5-8
  148. I. Baldea
    An effect of the Peierls lattice distortion on the impurity distribution
    Solid State Commun. 61 (1987) 279-283
  149. I. Baldea and M. Apostol
    Pseudo-gap model for KCP. Application to the near infrared conductivity
    Physica B+C 143 (1986) 276-278
  150. I. Baldea
    2 kF-Distortion of the Impurity Distribution in the Peierls-CDW State
    phys. stat. solidi (b) 138 (1986) 309-319
  151. I. Baldea
    Theory of Interacting Fermion Systems with Application to One-Dimensional Materials
    Stud. Cerc. Fiz. 38 (1986) 572-585
  152. I. Baldea
    Description of the Overhauser State of the Nuclear/Neutron Star Matter
    Rev. Roum. Phys. 31 (1986) 617-630
  153. I. Baldea
    The One-Dimensional Electron-Phonon System with Forward Scattering Interaction
    Physica Scripta 31 (1985) 606
  154. I. Baldea and M. Apostol
    Modulated-impurity mechanism of pinning in KCP
    J. Phys. C: Solid State Physics 18 (1985) 6135
  155. M. Apostol and I. Baldea
    Incommensurate pinning mechanism in KCP
    Solid State Commun. 53 (1985) 687-690
  156. I. Baldea
    An Extended Tomonaga-Luttinger Model
    Rev. Roum. Phys. 30 (1985) 723-736
  157. I. Baldea
    Properties of the Quasi-One-Dimensional Material KCP (Structural, Electrical and Optical Properties)
    Stud. Cerc. Fiz.37 (1985) 147-175
  158. M. Apostol and I. Baldea
    On the Charge-Density Wave State in the Quasi-One-Dimensional Compound K2[Pt(CN)4Br0.3 x 3.2 H2O (KCP)
    Rev. Roum. Phys. 30 (1985) 605-630
  159. I. Baldea and M. Apostol
    Far Infrared Conductivity in KCP
    Molec. Cryst. Liq. Cryst. 120 (1985) 397-400
  160. M. Apostol and I. Baldea
    On the Lattice Excitations in KCP
    Molec. Cryst. Liq. Cryst. 120 (1985) 393-396
  161. I. Baldea
    Ward Identities For Non-Relativistic Fermion Systems
    Stud. Cerc. Fiz. 36 (1984) 587-606
  162. I. Baldea and M. Apostol
    Electron-Phonon Coupling in KCP
    J. de Physique (Paris) C-3 44 (1983) 1557-1559
  163. M. Apostol, I. Baldea, and A. Corciovei
    On Giant Kohn Anomaly in Solids with One-Dimensional Properties
    Rev. Roum. Phys. 27 (1982) 753-759
  164. M. Apostol and I. Baldea
    Electron-phonon coupling in one dimension
    J. Phys. C: Solid State Physics 15 (1982) 3319
  165. M. Apostol and I. Baldea
    One-electron Green function for electrons coupled with acoustical phonons in one dimension
    Phys. Lett. A 88 (1982) 73-76
  166. D. E. Brancus, I. Baldea, and I. A. Dorobantu
    Thermalization and Linear Response of Non-Equilibrium Landau Electrons
    Rev. Roum. Phys. 25 (1980) 83-91
  167. D. E. Demco, I. Baldea, and D. Barb
    Nuclear Magnetic Relaxation in Superconducting Materials
    Stud. Cerc. Fiz. 29 (1977) 59-82

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