| Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study YI Matsushita, G Madjarova, JK Dewhurst, S Shallcross, C Felser, ... Journal of Physics D: Applied Physics 50 (9), 095002, 2017 | 71 | 2017 |
| Is 2-D graphite an ultimate large hydrocarbon? II. structure and energy spectra of polycyclic aromatic hydrocarbons with defects F Dietz, N Tyutyulkov, G Madjarova, K Müllen The Journal of Physical Chemistry B 104 (8), 1746-1761, 2000 | 64 | 2000 |
| Is 2-D graphite an ultimate large hydrocarbon? 1. Energy spectra of giant polycyclic aromatic hydrocarbons N Tyutyulkov, G Madjarova, F Dietz, K Müllen The Journal of Physical Chemistry B 102 (50), 10183-10189, 1998 | 50 | 1998 |
| First-principles study of the lithium interaction with polycyclic aromatic hydrocarbons S Ishikawa, G Madjarova, T Yamabe The Journal of Physical Chemistry B 105 (48), 11986-11993, 2001 | 41 | 2001 |
| Molecular dynamics simulation of the aggregation patterns in aqueous solutions of bile salts at physiological conditions F Mustan, A Ivanova, G Madjarova, S Tcholakova, N Denkov The Journal of Physical Chemistry B 119 (51), 15631-15643, 2015 | 38 | 2015 |
| Selectivity descriptors for the Michael addition reaction as obtained from density functional based approaches G Madjarova, A Tadjer, TP Cholakova, AA Dobrev, T Mineva The Journal of Physical Chemistry A 109 (2), 387-393, 2005 | 32 | 2005 |
| On the nature of the spin exchange interaction in poly (m-aniline) M Baumgarten, K Müllen, N Tyutyulkov, G Madjarova Chemical physics 169 (1), 81-84, 1993 | 27 | 1993 |
| Fully doped oligomers of emeraldine salt: polaronic versus bipolaronic configuration JN Petrova, JR Romanova, GK Madjarova, AN Ivanova, AV Tadjer The Journal of Physical Chemistry B 115 (14), 3765-3776, 2011 | 26 | 2011 |
| Effect of solvation and intermolecular interactions on the structure and optical properties of PANI oligomers A Ivanova, G Madjarova, A Tadjer, N Gospodinova International journal of quantum chemistry 106 (6), 1383-1395, 2006 | 24 | 2006 |
| Solvent polarity and dopant effect on the electronic structure of the emeraldine salt J Romanova, G Madjarova, A Tadjer, N Gospodinova International Journal of Quantum Chemistry 111 (2), 435-443, 2011 | 22 | 2011 |
| Calculated and experimental spectra of some 1, 8-naphthalimide derivatives I Karamancheva, A Tadjer, T Philipova, G Madjarova, C Ivanova, ... Dyes and pigments 36 (3), 273-285, 1998 | 20 | 1998 |
| Absorption spectra of model single chains of conducting polyaniline J Petrova, J Romanova, G Madjarova, A Ivanova, A Tadjer The Journal of Physical Chemistry B 116 (22), 6543-6552, 2012 | 19 | 2012 |
| Band electronic structures of polyphenanthrene and polyacene doped with lithium G Madjarova, T Yamabe The Journal of Physical Chemistry B 105 (13), 2534-2538, 2001 | 18 | 2001 |
| Organic polymers with indirect magnetic interaction caused by the symmetry of the elementary units N Tyutyulkov, G Madjarova, F Dietz, M Baumgarten International journal of quantum chemistry 66 (6), 425-434, 1998 | 17 | 1998 |
| Structure, energy spectra and magnetic properties of poly(m‐aniline)s G Madjarova, M Baumgarten, K Müllen, N Tyutyulkov Macromolecular theory and simulations 3 (4), 803-815, 1994 | 16 | 1994 |
| Excitons in organics using time-dependent density functional theory: PPV, pentacene, and picene S Sharma, JK Dewhurst, S Shallcross, GK Madjarova, EKU Gross Journal of chemical theory and computation 11 (4), 1710-1714, 2015 | 15 | 2015 |
| Boron–nitrogen-and boron-substituted anthracenes and-phenanthrenes as models for doped carbon-based materials M Velinova, V Georgiev, T Todorova, G Madjarova, A Ivanova, A Tadjer Journal of Molecular Structure: THEOCHEM 955 (1-3), 97-108, 2010 | 13 | 2010 |
| Molecular simulation of the structure of folate and antifolates at physiological conditions J Petrova, G Gocheva, N Ivanova, S Iliev, B Atanasova, G Madjarova, ... Journal of Molecular Graphics and Modelling 87, 172-184, 2019 | 12 | 2019 |
| Molecular dynamics approach to water structure of HII mesophase of monoolein V Kolev, A Ivanova, G Madjarova, A Aserin, N Garti The Journal of chemical physics 136 (7), 074509, 2012 | 12 | 2012 |
| Tautomerism in folic acid: Combined molecular modelling and NMR study G Gocheva, N Petkov, AG Luri, S Iliev, N Ivanova, J Petrova, Y Mitrev, ... Journal of Molecular Liquids 292, 111392, 2019 | 10 | 2019 |
