| Ab initio investigation of doping-enhanced electronic and vibrational second hyperpolarizability of polyacetylene chains B Champagne, M Spassova, JB Jadin, B Kirtman The Journal of chemical physics 116 (9), 3935-3946, 2002 | 128 | 2002 |
| Theoretical and experimental investigation of electric field induced second harmonic generation in tetrathia [7] helicenes A Bossi, E Licandro, S Maiorana, C Rigamonti, S Righetto, ... The Journal of Physical Chemistry C 112 (21), 7900-7907, 2008 | 114 | 2008 |
| Assessing long-range corrected functionals with physically-adjusted range-separated parameters for calculating the polarizability and the second hyperpolarizability of … S Nénon, B Champagne, MI Spassova Physical Chemistry Chemical Physics 16 (15), 7083-7088, 2014 | 92 | 2014 |
| Synthesis, spectroscopic characterization and ab initio investigation of thioanalogues of spirohydantoins M Marinov, S Minchev, N Stoyanov, G Ivanova, M Spassova, V Enchev Croatica chemica acta 78 (1), 9-16, 2005 | 69 | 2005 |
| Hyper-Rayleigh scattering of neutral and charged helicenes E Botek, M Spassova, B Champagne, I Asselberghs, A Persoons, K Clays Chemical physics letters 412 (4-6), 274-279, 2005 | 57 | 2005 |
| Theoretical investigation on H1 and C13 NMR chemical shifts of small alkanes and chloroalkanes P d’Antuono, E Botek, B Champagne, M Spassova, P Denkova The Journal of chemical physics 125 (14), 2006 | 52 | 2006 |
| Ab initio investigation of the structure and nonlinear optical properties of five-membered heterocycles containing sulfur M Spassova, V Enchev Chemical physics 298 (1-3), 29-36, 2004 | 46 | 2004 |
| Theoretical investigation on the polarizability and second hyperpolarizability of polysilole B Champagne, M Spassova Chemical Physics Letters 471 (1-3), 111-115, 2009 | 39 | 2009 |
| Large effect of dopant level on second hyperpolarizability of alkali-doped polyacetylene chains M Spassova, B Champagne, B Kirtman Chemical physics letters 412 (1-3), 217-222, 2005 | 37 | 2005 |
| Theoretical investigation on bridged triarylamine helicenes: UV/visible and circular dichroism spectra M Spassova, I Asselberghs, T Verbiest, K Clays, E Botek, B Champagne Chemical physics letters 439 (1-3), 213-218, 2007 | 33 | 2007 |
| Structure and nonlinear electrical properties of squaric acid derivatives: a theoretical study of the conformation and deprotonation effects M Spassova, T Kolev, I Kanev, D Jacquemin, B Champagne Journal of Molecular Structure: THEOCHEM 528 (1-3), 151–159, 2000 | 32 | 2000 |
| Structural properties of doped polyacetylene chains: a comparative theoretical investigation using Hartree–Fock, Møller–Plesset second-order perturbation theory, and density … B Champagne, M Spassova Physical Chemistry Chemical Physics 6 (12), 3167-3174, 2004 | 30 | 2004 |
| Boron-doped polycyclic aromatic hydrocarbons: A molecular set revealing the interplay between topology and singlet fission propensity J Stoycheva, A Tadjer, M Garavelli, M Spassova, A Nenov, J Romanova The Journal of Physical Chemistry Letters 11 (4), 1390-1396, 2020 | 24 | 2020 |
| Enhanced intramolecular charge transfer in new type donor–acceptor substituted perylenes AA Vasilev, K De Mey, I Asselberghs, K Clays, B Champagne, ... The Journal of Physical Chemistry C 116 (43), 22711-22719, 2012 | 22 | 2012 |
| Charge distributions in polyacetylene chains containing a positively charged defect V Monev, M Spassova, B Champagne International journal of quantum chemistry 104 (3), 354-366, 2005 | 18 | 2005 |
| A model system with intramolecular hydrogen bonding: Effect of external electric field on the tautomeric conversion and electronic structures V Enchev, V Monev, N Markova, M Rogozherov, S Angelova, M Spassova Computational and Theoretical Chemistry 1006, 113-122, 2013 | 16 | 2013 |
| Excited state proton transfer in 3, 6-bis (4, 5-dihydroxyoxazo-2-yl) benzene-1, 2-diol V Enchev, N Markova, M Stoyanova, P Petrov, M Rogozherov, ... Chemical Physics Letters 563, 43-49, 2013 | 14 | 2013 |
| Hyper-Rayleigh scattering of neutral and charged helicenes (vol 412, pg 275, 2005) E Botek, M Spassova, B Champagne, I Asselberghs, A Persoons, K Clays Chemical Physics Letters 417 (1-3), 282-282, 2006 | 14 | 2006 |
| Aggregation of 2‐Aminobenzimidazole—A Combined Experimental and Theoretical Investigation SE Angelova, MI Spassova, VV Deneva, MI Rogojerov, LM Antonov ChemPhysChem 12 (9), 1747-1755, 2011 | 6 | 2011 |
| Ab initio summation over states/SCI for static and dynamic hyperpolarizabilities of small molecules M Spassovaa, V Moneva, I Kaneva, B Champagneb, DH Mosleyb, ... Quantum Systems in Chemistry and Physics: Volume 1: Basic Problems and Model …, 2000 | 5 | 2000 |
Koen ClaysProf. Chemistry, KU Leuven; Adj. Prof. Physics, WSU, US; Jiangnan Dist. Prof., Tongji Un.; fEurAScПотвърден имейл адрес: fys.kuleuven.be
