# | Title | Journal | Year | Citations |
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1 | DFT study of linear and nonlinear optical properties of donor-acceptor substituted stilbenes, azobenzenes and benzilideneanilines | Journal of Molecular Modeling | 2010 | 53 |
2 | Application of a computational model of natural deep eutectic solvents utilizing the COSMO-RS approach for screening of solvents with high solubility of rutin | Journal of Molecular Modeling | 2018 | 42 |
3 | A post-SCF complete basis set study on the recognition patterns of uracil and cytosine by aromatic and π–aromatic stacking interactions with amino acid residues | Physical Chemistry Chemical Physics | 2008 | 37 |
4 | Synthesis and Linear and Nonlinear Optical Properties of Three Push–Pull Oxazol-5(4H)-one Compounds | Journal of Organic Chemistry | 2015 | 36 |
5 | Styryl dye possessing donor-π-acceptor structure – Synthesis, spectroscopic and computational studies | Dyes and Pigments | 2013 | 33 |
6 | Time-dependent density functional theory calculations of the solvatochromism of some azo sulfonamide fluorochromes | Journal of Molecular Modeling | 2015 | 33 |
7 | Nanotechnology, from quantum mechanical calculations up to drug delivery | International Journal of Nanomedicine | 2018 | 33 |
8 | A review of the innovative gas separation membrane bioreactor with mechanisms for integrated production and purification of biohydrogen | Bioresource Technology | 2018 | 33 |
9 | Hydrolytic degradation of copolymers based on l-lactic acid and bis-2-hydroxyethyl terephthalate | Polymer Degradation and Stability | 2007 | 32 |
10 | Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite | Environmental Science and Pollution Research | 2016 | 30 |
11 | The MP2 quantum chemistry study on the local minima of guanine stacked with all four nucleic acid bases in conformations corresponding to mean B-DNA | Computational and Theoretical Chemistry | 2005 | 29 |
12 | Silicon dioxide surface modified with cholesterol derivatives | Materials Chemistry and Physics | 2001 | 28 |
13 | On the influence of confinement effects on electric properties: An ab initio study | Chemical Physics Letters | 2007 | 28 |
14 | Environment influences on the aromatic character of nucleobases and amino acids | Journal of Molecular Modeling | 2010 | 27 |
15 | Experimental and theoretical studies of the influence of solvent polarity on the spectral properties of two push-pull oxazol-5-(4 H )-one compounds | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | 2017 | 27 |
16 | The nature of interactions in uracil dimer: An ab initio study | Chemical Physics Letters | 2007 | 26 |
17 | The post-SCF quantum chemistry characteristics of the guanine–guanine stacking B-DNA | Physical Chemistry Chemical Physics | 2008 | 26 |
18 | Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol | New Journal of Chemistry | 2012 | 26 |
19 | The effect of primers on adhesive properties and strength of adhesive joints made with polyurethane adhesives | Journal of Adhesion Science and Technology | 2017 | 26 |
20 | New insights into the ideal adsorbed solution theory | Physical Chemistry Chemical Physics | 2015 | 25 |
21 | Spectroscopic and nonlinear optical properties of new chalcone fluorescent probes for bioimaging applications: a theoretical and experimental study | Journal of Molecular Modeling | 2016 | 25 |
22 | Linear and nonlinear optical properties of azobenzene derivatives | Journal of Molecular Modeling | 2009 | 24 |
23 | Solubility advantage of sulfanilamide and sulfacetamide in natural deep eutectic systems: experimental and theoretical investigations | Drug Development and Industrial Pharmacy | 2019 | 24 |
24 | Investigation of selected properties of adhesive compositions based on epoxy resins | International Journal of Adhesion and Adhesives | 2019 | 22 |
25 | Membrane transport of organics. II. Permeation of some carboxylic acids through strongly basic polymer membrane | Journal of Applied Polymer Science | 1999 | 21 |
26 | Screening of ionic liquids for efficient extraction of methylxanthines using COSMO-RS methodology | Chemical Engineering Research and Design | 2017 | 21 |
27 | Synthesis, photophysical properties and systematic evaluations of new phenanthroimidazole fluorescent probe for bioimaging: Experimental and theoretical study | Journal of Photochemistry and Photobiology B: Biology | 2017 | 21 |
28 | Nanotube junctions and the genus of multi-tori | Physical Chemistry Chemical Physics | 2012 | 20 |
29 | Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids | European Journal of Pharmaceutical Sciences | 2016 | 20 |
30 | Possibilities for the biologically-assisted utilization of CO2-rich gaseous waste streams generated during membrane technological separation of biohydrogen | Journal of CO2 Utilization | 2020 | 20 |
31 | Exploring the cocrystallization potential of urea and benzamide | Journal of Molecular Modeling | 2016 | 19 |
32 | Solubility of sulfanilamide in binary solvents containing water: Measurements and prediction using Buchowski-Ksiazczak solubility model | Journal of Molecular Liquids | 2020 | 19 |
33 | Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning | International Journal of Molecular Sciences | 2021 | 19 |
34 | Membrane transport of organics. I. Sorption and permeation of carboxylic acids in perfluorosulfonic and perfluorocarboxylic polymer membranes | Journal of Applied Polymer Science | 1997 | 18 |
35 | On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation | Journal of Molecular Modeling | 2015 | 18 |
36 | Experimental and theoretical investigations of spectroscopic properties of azobenzene derivatives in solution | Journal of Molecular Modeling | 2007 | 17 |
37 | Two-dimensional gas and vacancy solution approaches in the thermodynamic description of adsorption equilibrium | Journal of Colloid and Interface Science | 2005 | 16 |
38 | Synthesis, structural study and hydrolytic degradation of copolymer based on glycolic acid and bis-2-hydroxyethyl terephthalate | Polymer Degradation and Stability | 2009 | 16 |
39 | Molecular dynamics study on inhibition mechanism of CDK-2 and GSK-3β by CHEMBL272026 molecule | Structural Chemistry | 2016 | 16 |
40 | Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea | Journal of Crystal Growth | 2016 | 16 |
41 | In silico screening of dicarboxylic acids for cocrystallization with phenylpiperazine derivatives based on both cocrystallization propensity and solubility advantage | Journal of Molecular Modeling | 2017 | 16 |
42 | Synthesis, spectroscopic, physicochemical properties and binding site analysis of 4-(1H-phenanthro[9,10-d]-imidazol-2-yl)-benzaldehyde fluorescent probe for imaging in cell biology: Experimental and theoretical study | Journal of Photochemistry and Photobiology B: Biology | 2016 | 15 |
43 | Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations | International Journal of Molecular Sciences | 2021 | 15 |
44 | Membrane transport of organics. III. Permeation of some carboxylic acids through bipolar polymer membrane | Journal of Applied Polymer Science | 2001 | 14 |
45 | Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model | Chemical Physics | 2007 | 14 |
46 | Synthesis and photophysical properties of two-photon chromophores containing 1H-benzimidazole residue | Dyes and Pigments | 2014 | 14 |
47 | On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method | Structural Chemistry | 2015 | 14 |
48 | Ozonization of electronic conducting polymers: II. Degradation or doping | Polymer Degradation and Stability | 2006 | 13 |
49 | Influence of thermal vibrations on aromaticity of benzene | Physical Chemistry Chemical Physics | 2011 | 13 |
50 | Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility | Materials | 2021 | 13 |