JH-SUITE (ver. 2.1)

© J. Heyrovský Institute of Physical Chemistry (Prague, Czech Republic), 2017-2024 Alan Liška Veronika Rùžièková

Description:

JH-suite (named according to Jaroslav Heyrovský) is a set of small codes enabling fast empirical estimations. Each individual program is written in X11-BASIC by Markus Hoffmann (https://github.com/kollokollo/X11Basic) and can be edited by users according to their needs.

Before use, please read the corresponding manual in the Documents/jh-suite/doc folder.

Description of the individual codes: Banks-Burnop - boiling points of organic compounds Bayless - protonization constants for inorganic acids Bayless-Ricci - protonization constants for inorganic acids Bell - protonization constants for inorganic oxo acids Brown I - complex formation equilibria, parametrized hard & soft acid-base principle, inorganic ligands Brown II - complex formation equilibria, parametrized hard & soft acid-base principle, organic ligands: amines, carboxylic acids and amino acids Brown III - precipitation equilibria, parametrized hard & soft acid-base principle, inorganic species Brown IV - redox equilibria, parametrized hard & soft acid-base principle, inorganic species Brown-Stein - melting and boiling points of organic compounds Cabani - hydration Gibbs energy Clifford I - precipitation equilibria, electronegativity calculation scheme Clifford II - precipitation equilibria, electronegativity calculation scheme Dick - equilibria among amino acids and peptides Edwards I - complex formation equilibria, parametrized hard & soft acid-base principle Edwards I - rate constants of nucleophilic substitution on Pt(II)-centre Eigen-Fuoss I - complex formation equilibria, outer sphere aducts Eigen-Fuoss II - rate constants of outer sphere nucleophilic substitutions in complexes Fuoss - complex formation equilibria, ion pairs Hammett I - organic acids protonization constants Hammett II - selected organic reactions rate coefficients Hancock I - complex formation equilibria, parametrized hard & soft acid-base principle Hancock II - complex formation equilibria, parametrized hard & soft acid-base principle, generalized for both small and large donor atoms Jankowski - formation Gibbs energy of (bio)organic solutes Joback - basic organic thermodynamic estimations Klopman I - solubility of organic compounds in water Klopman II - solubility of organic compounds in water Marcus - redox potentials of elementary reactions Mavrovouniotis - standard Gibbs energy of aqueous organic solutes Misono I - complex formation equilibria, parametrized hard & soft acid-base principle Misono II - complex formation equilibria, parametrized hard & soft acid-base principle Pauling I - protonization constants of inorganic oxo acids, empirical rules Pauling II - standard enthalpy of fussion of any compound in its standard state Pedley - standard enthalpy of fussion of organic compounds PCM - Partial Charge Model, calculation of atomic charges in any species - molecules, ions - based on electronegativity equalization principle Polymer - thermodynamic, spectroscopic, mechanical and other properties of organic compounds and polymers from group contributions Ricci - protonization constants for inorganic oxo acids, empirical rules Sanderson - thermodynamic properties and charge distribution based on one of the broadest empirical calculation scheme Simamora - melting and boiling points of organic compounds where no hydrogen-bonds are employed Yamada - complex formation equilibria, parametrized hard & soft acid-base principle Yingst - complex formation equilibria, parametrized hard & soft acid-base principle Zhou - rate constants of e.g. acid-base reactions and other diffussion controlled processes Zuman I-VII - polarographic half-wave potentials of organic compounds

License: The JH-suite app repository (except from the binary content in /app/src/main/jniLibs/) itself is covered by GPL3 license. However, the included third-party software as well as the corresponding documentation retains the original licenses - please see the individual entries below. App source code: https://github.com/alanliska/JH-suite

IMPORTANT! Although this app is composed of open-source codes and resources, licenses for some components require the users to cite the original references when publishing the results. Please check all the licensing information under the License button and also in the following list. All the users of the JH-SUITE app comply by downloading, installing and using it with all the licensing conditions of the individual software components and take the responsibility for keeping them.

Contact: Compilation of the source code for Android as well as the Android app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Rùžièková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic. Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm

List of used third-party software: ACPDFVIEW, GMP, X11-BASIC.

More info on licenses & references - please refer to the licensing information inside of the app.

• ACPDFVIEW Author: Bhuvaneshw (Github) Source code: https://github.com/Bhuvaneshw/acpdfview License: GNU GPL-3.0

• GMP Contributors: please see the page https://gmplib.org/manual/Contributors Source code: https://gmplib.org/ License: GNU LGPL v3 and GNU GPL v2

• X11-BASIC Author: Markus Hoffmann Source code: https://github.com/kollokollo/X11Basic License: GPL-2.0

Manuals:

• JH-suite: own manual

Sources of the pre-compiled executables:

• xbbc: https://github.com/alanliska/X11-Basic-for-Android

• xbvm: https://github.com/alanliska/X11-Basic-for-Android

References for individual codes included in JH suite:

• Banks-Burnop [1] Robert S. Boethling (Ed.) et al: Handbook of Property Estimation Methods for Chemicals: Environmental and Health Sciences. CRC Press LLC, Boca Raton 2000. [2] W. H. Banks, J. Chem. Soc. (1939) 292-295. [3] V. C. E. Burnop, J. Chem. Soc. (1938) 826-829. [4] P. I. Gold, G. J. Ogle, Chemical Engineering 76(1) (1969) 119.

• Bayless [5] Philip L. Bayless, J. Chem. Ed. 60 (1983) 546-547. [6] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988.

• Bayless-Ricci [7] Philip L. Bayless, J. Chem. Ed. 60 (1983) 546-547. [8] John E. Ricci, J. Am. Chem. Soc. 70(1) (1948) 109-113. [9] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988.

• Bell [10] R. P. Bell: The Proton in Chemistry (2nd Edition). Chapman and Hall, London 1973. [11] N. N. Greenwood, A. Earnshaw: Chemie prvku, svazek 1. Informatorium, Praha 1993.

• Brown I [12] Paul Leslie Brown, Ronald N. Sylva, AAEC/E656 1987 (patent). [13] Paul Leslie Brown, Ronald N. Sylva, J. Chem. Soc., Dalton Trans. 4 (1985) 723-730. [14] Paul Leslie Brown, Heinz Wanner: Predicted formation constants using the unified theory of metal ion complexation. Organisation for Economic Co- operation and Development, Nuclear Energy Agency, Paris 1987. [15] Paul Leslie Brown, Christian Ekberg: Hydrolysis of Metal Ions, Volume 1-2. Wiley-VCH, Weinheim 2016. [16] R. D. Shannon, Acta Cryst. A32 (1976) 751-767. [17] Nils Wiberg: Lehrbuch der Anorganischen Chemie, 102. Auflage. Walter de Gruyter, Berlin 2007. [18] Klaus Stockar, Helvetica Chimica Acta 33(6) (1950) 1409-1420. [19] Robert G. Parr, Ralph G. Pearson, J. Am. Chem. Soc. 105 (1983) 7512-7516. [20] G. Klopman, J. Am. Chem. Soc. 90(2) (1968) 223-234. [21] Lars Gunnar Sillen, Arthur E. Martell: Stability Constants of Metal-Ion Complexes. The Chemical Society, Burlington House W.1, London 1964. [22] H. J. M. Bowen et al.: Tables of Interatomic Distances and Configuration in Molecules and Ions. The Chemical Society, Burlington House, London 1958. [23] L. E. Sutton et al.: Tables of Interatomic Distances and Configuration in Molecules and Ions, Supplement 1956-1959. The Chemical Society, Burlington House, London 1965. [24] Stepan S. Batsanov, Andrei S. Batsanov: Introduction to Structural Chemistry. Springer, Dordrecht 2012. [25] V. A. Rabinovic, Z. Ja. Chavin: Strucna chemicka prirucka. SNTL, Praha 1985. [26] Jiri Vohlidal, Alois Julak, Karel Stulik: Chemicke a analyticke tabulky. GRADA Publishing, Praha 1999. [27] B. P. Nikolski: Handbuch des Chemikers, Band I. VEB Verlag Technik, Berlin 1956. [28] Helen K. Roobottom, H. Donald B. Jenkins, Jack Passmore, Leslie Glasser, J. Chem. Ed. 76(11) (1999) 1570-1573. [29] H. Donald B. Jenkins, Helen K. Roobottom, Jack Passmore, Leslie Glasser, Inorg. Chem. 38 (1999) 3609-3620. [30] M. J. Sienko, R. A. Plane: Physical Inorganic Chemistry. W. A. Benjamin, New York 1963. [31] Tae Bum Lee, Michael L. McKee, Inorganic Chemistry 50 (2011) 11412-11422. [32] Michael L. McKee, J. Phys. Chem. 100 (1996) 3473-3481. [33] Arthur E. Martell, Robert M. Smith: NIST Standard Reference Database 46 Version 8.0, NIST, Gaithersburg 2004.

• Brown II [34] Paul Leslie Brown, Ronald N. Sylva, AAEC/E656 1987 (patent). [35] Paul Leslie Brown, Ronald N. Sylva, J. Chem. Soc., Dalton Trans. 4 (1985) 723-730. [36] Paul Leslie Brown, Heinz Wanner: Predicted formation constants using the unified theory of metal ion complexation. Organisation for Economic Co- operation and Development, Nuclear Energy Agency, Paris 1987. [37] Paul Leslie Brown, Christian Ekberg: Hydrolysis of Metal Ions, Volume 1-2. Wiley-VCH, Weinheim 2016. [38] R. D. Shannon, Acta Cryst. A32 (1976) 751-767. [39] Nils Wiberg: Lehrbuch der Anorganischen Chemie, 102. Auflage. Walter de Gruyter, Berlin 2007. [40] Klaus Stockar, Helvetica Chimica Acta 33(6) (1950) 1409-1420. [41] Robert G. Parr, Ralph G. Pearson, J. Am. Chem. Soc. 105 (1983) 7512-7516. [42] G. Klopman, J. Am. Chem. Soc. 90(2) (1968) 223-234. [43] Stepan S. Batsanov, Andrei S. Batsanov: Introduction to Structural Chemistry. Springer, Dordrecht 2012. [44] V. A. Rabinovic, Z. Ja. Chavin: Strucna chemicka prirucka. SNTL, Praha 1985. [45] Jiri Vohlidal, Alois Julak, Karel Stulik: Chemicke a analyticke tabulky. GRADA Publishing, Praha 1999. [46] B. P. Nikolski: Handbuch des Chemikers, Band I. VEB Verlag Technik, Berlin 1956. [47] M. J. Sienko, R. A. Plane: Physical Inorganic Chemistry. W. A. Benjamin, New York 1963. [48] Arthur E. Martell, Robert M. Smith: NIST Standard Reference Database 46 Version 8.0, NIST, Gaithersburg 2004.

• Brown III [49] Paul Leslie Brown, Ronald N. Sylva, AAEC/E656 1987 (patent). [50] Paul Leslie Brown, Ronald N. Sylva, J. Chem. Soc., Dalton Trans. 4 (1985) 723-730. [51] Paul Leslie Brown, Heinz Wanner: Predicted formation constants using the unified theory of metal ion complexation. Organisation for Economic Co- operation and Development, Nuclear Energy Agency, Paris 1987. [52] Paul Leslie Brown, Christian Ekberg: Hydrolysis of Metal Ions, Volume 1-2. Wiley-VCH, Weinheim 2016. [53] R. D. Shannon, Acta Cryst. A32 (1976) 751-767. [54] Nils Wiberg: Lehrbuch der Anorganischen Chemie, 102. Auflage. Walter de Gruyter, Berlin 2007. [55] Klaus Stockar, Helvetica Chimica Acta 33(6) (1950) 1409-1420. [56] Robert G. Parr, Ralph G. Pearson, J. Am. Chem. Soc. 105 (1983) 7512-7516. [57] G. Klopman, J. Am. Chem. Soc. 90(2) (1968) 223-234. [58] Stepan S. Batsanov, Andrei S. Batsanov: Introduction to Structural Chemistry. Springer, Dordrecht 2012. [59] V. A. Rabinovic, Z. Ja. Chavin: Strucna chemicka prirucka. SNTL, Praha 1985. [60] Jiri Vohlidal, Alois Julak, Karel Stulik: Chemicke a analyticke tabulky. GRADA Publishing, Praha 1999. [61] B. P. Nikolski: Handbuch des Chemikers, Band I. VEB Verlag Technik, Berlin 1956.

• Brown IV [62] Paul Leslie Brown, Ronald N. Sylva, AAEC/E656 1987 (patent). [63] Paul Leslie Brown, Ronald N. Sylva, J. Chem. Soc., Dalton Trans. 4 (1985) 723-730. [64] Paul Leslie Brown, Heinz Wanner: Predicted formation constants using the unified theory of metal ion complexation. Organisation for Economic Co- operation and Development, Nuclear Energy Agency, Paris 1987. [65] Paul Leslie Brown, Christian Ekberg: Hydrolysis of Metal Ions, Volume 1-2. Wiley-VCH, Weinheim 2016. [66] R. D. Shannon, Acta Cryst. A32 (1976) 751-767. [67] Nils Wiberg: Lehrbuch der Anorganischen Chemie, 102. Auflage. Walter de Gruyter, Berlin 2007. [68] Klaus Stockar, Helvetica Chimica Acta 33(6) (1950) 1409-1420. [69] Robert G. Parr, Ralph G. Pearson, J. Am. Chem. Soc. 105 (1983) 7512-7516. [70] G. Klopman, J. Am. Chem. Soc. 90(2) (1968) 223-234. [71] Lars Gunnar Sillen, Arthur E. Martell: Stability Constants of Metal-Ion Complexes. The Chemical Society, Burlington House W.1, London 1964. [71] H. J. M. Bowen et al.: Tables of Interatomic Distances and Configuration in Molecules and Ions. The Chemical Society, Burlington House, London 1958. [72] L. E. Sutton et al.: Tables of Interatomic Distances and Configuration in Molecules and Ions, Supplement 1956-1959. The Chemical Society, Burlington House, London 1965. [73] Stepan S. Batsanov, Andrei S. Batsanov: Introduction to Structural Chemistry. Springer, Dordrecht 2012. [74] V. A. Rabinovic, Z. Ja. Chavin: Strucna chemicka prirucka. SNTL, Praha 1985. [75] Jiri Vohlidal, Alois Julak, Karel Stulik: Chemicke a analyticke tabulky. GRADA Publishing, Praha 1999. [76] B. P. Nikolski: Handbuch des Chemikers, Band I. VEB Verlag Technik, Berlin 1956. [77] Helen K. Roobottom, H. Donald B. Jenkins, Jack Passmore, Leslie Glasser, J. Chem. Ed. 76(11) (1999) 1570-1573. [78] H. Donald B. Jenkins, Helen K. Roobottom, Jack Passmore, Leslie Glasser, Inorg. Chem. 38 (1999) 3609-3620. [79] M. J. Sienko, R. A. Plane: Physical Inorganic Chemistry. W. A. Benjamin, New York 1963. [80] Tae Bum Lee, Michael L. McKee, Inorganic Chemistry 50 (2011) 11412-11422. [81] Michael L. McKee, J. Phys. Chem. 100 (1996) 3473-3481. [82] Arthur E. Martell, Robert M. Smith: NIST Standard Reference Database 46 Version 8.0, NIST, Gaithersburg 2004.

• Brown-Stein [83] S. E. Stein, R. L. Brown: Estimation of Normal Boiling Points from Group Contributions. J. Chem. Inf. Comput. Sci. 34 (1994) 581-587. [84] John C. Dearden, Environmental Toxicology and Chemistry 22(8) (2003) 1696-1709. [85] Robert S. Boethling (Ed.) et al: Handbook of Property Estimation Methods for Chemicals: Environmental and Health Sciences. CRC Press LLC, Boca Raton 2000.

• Cabani [86] Sergio Cabani, Paolo Gianni, Vincenzo Mollica, Luciano Lepori, Journal of Solution Chemistry 10 (1981) 563-595.

• Clifford I [87] A. F. Clifford, J. Phys. Chem. 63(8) (1959) 1227-1231.

• Clifford II [88] A. F. Clifford, J. Phys. Chem. 63(8) (1959) 1227-1231. [89] Bacanov, S.S.: Elektronegativita prvkù a chemická vazba. SNTL, Praha 1965.

• Dick [90] J. M. Dick, D. E. LaRowe, H.C. Helgeson, Biogeosciences 3 (2006) 311-336. [91] J. M. Dick, D. E. LaRowe, H. C. Helgeson, Biogeosciences Discussions 2 (2005) 1515-1615. [92] Jan P. Amend, Harold C. Helgeson, Biophysical Chemistry 84 (2000) 105-136. [93] Allen J. Bard, Roger Parsons, Joseph Jordan: Standard Potentials in Aqueous Solution. Marcel Dekker, New York and Basel 1985.

• Edwards I [94] John O. Edwards, J. Am. Chem. Soc. 76(6) (1954) 1540.

• Edwards II [95] Umberto Belluco, Lucio Cattalini, Fried Basolo, Ralph G. Pearson, Aldo Turco, J. Am. Chem. Soc. 87(2) (1965) 241-246. [96] Ralph G. Pearson, Harold Sobel, Jon Songstad, J. Am. Chem. Soc. 90(2) (1968) 319-326. [97] Lucio Cattalini: "MECHANISM OF SQUARE PLANAR SUBSTITUTION" in Inorganic Chemistry Series One, MTP Series 9 (1972) 66.

• Eigen-Fuoss I [98] Manfred Eigen, Z. Phys. Chem. 1 (1954) 176-200. [99] Manfred Eigen, Z. Electrochem. 64 (1960) 115-130. [100] Raymond M. Fuoss, J. Am. Chem. Soc. 80(19) (1958) 5059-5061. [101] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988.

• Eigen-Fuoss II [102] Manfred Eigen, Z. Phys. Chem. 1 (1954) 176-200. [103] Manfred Eigen, Z. Electrochem. 64 (1960) 115-130. [104] Raymond M. Fuoss, J. Am. Chem. Soc. 80(19) (1958) 5059-5061. [105] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988. [106] Ralph G. Wilkins: Kinetics and Mechanism of Reactions of Transition Metal Complexes, 2nd Edition. Wiley-VCH, Weinheim 2002.

• Fuoss [107] Raymond M. Fuoss, J. Am. Chem. Soc. 80(19) (1958) 5059-5061. [108] Kosuke Izutsu: Electrochemistry in Nonaqueous Solutions. Wiley-VCH, Weinheim 2009. [109] Yizhak Marcus: Ions in Solution and their Solvation. John Wiley & Sons, New Jersey 2015.

• Hammett I [110] Otto Exner: Korelacni vztahy v organicke chemii. SNTL/Alfa, Praha 1981. [111] N. B. Chapman, J. Shorter: Correlation Analysis in Chemistry, Recent Advances. Plenum Press, New York 1978.

• Hammett II [112] Otto Exner: Korelacni vztahy v organicke chemii. SNTL/Alfa, Praha 1981. [113] N. B. Chapman, J. Shorter: Correlation Analysis in Chemistry, Recent Advances. Plenum Press, New York 1978.

• Hancock I [114] Robert D. Hancock, Fabrizio Marsicano, Inorganic Chemistry 17(3) (1978) 560

• Hancock II [115] Robert D. Hancock, Fabrizio Marsicano, Inorganic Chemistry 19(9) (1980) 2709

• Jankowski [116] Matthew D. Jankowski, Christopher S. Henry, Linda J. Broadbelt, Vassily Hatzimanikatis, Biophysical journal 95(3) (2008) 1487-1499.

• Joback [117] K.G. Joback, R.C. Reid, Chem.Eng. Comm. 57 (1987) 233-243.

• Klopman I [118] Gilles Klopman, Shaomeng Wang, Donald M. Balthasar, Journal of chemical information and computer sciences 32(5) (1992) 474-482.

• Klopman II [119] Gilles Klopman, Shaomeng Wang, Donald M. Balthasar, Journal of chemical information and computer sciences 32(5) (1992) 474-482.

• Marcus [120] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988. [121] Ralph G. Wilkins: Kinetics and Mechanism of Reactions of Transition Metal Complexes, 2nd Edition. Wiley-VCH, Weinheim 2002.

• Mavrovouniotis [122] Michael L. Mavrovouniotis, The Journal of Biological Chemistry 266(22) (1991) 14440-14445. [123] Michael L. Mavrovouniotis, Patrick Bayol, Tu-Kien Michael Lam, George Stephanopoulos, Gregory Stephanopoulos, Biotechnology Techniques 2(1) (1988) 23-28. [124] Michael L. Mavrovouniotis, Biotechnology and Bioengineering 36 (1990) 1070-1082.

• Misono I [125] Makoto Misono, Ei´ichiro Ochiai, Yasukazu Saito, Yukio Yoneda, J. Inorg. Nucl. Chem. 29 (1967) 2685-2691. [126] Walter Gordy, WJ Orville Thomas, The Journal of Chemical Physics 24(2) (1956) 439-444. [127] Klaus Stockar, Helvetica Chimica Acta 33(6) (1950) 1409-1420.

• Misono II [128] Makoto Misono, Yasukazu Saito, Bulletin of The Chemical Society of Japan 43 (1970) 3680-3684. [129] Makoto Misono, Ei´ichiro Ochiai, Yasukazu Saito, Yukio Yoneda, J. Inorg. Nucl. Chem. 29 (1967) 2685-2691. [130] Walter Gordy, WJ Orville Thomas, The Journal of Chemical Physics 24(2) (1956) 439-444. [131] Klaus Stockar, Helvetica Chimica Acta 33(6) (1950) 1409-1420.

• Pauling I [132] Ronald Rich: Periodic Correlations. W.A.Benjamin, Inc., New York, Amsterdam 1965.

• Pauling II [133] Linus Pauling: The Nature of The Chemical Bond, 3rd Edition. Cornell University Press, London 1960.

• PCM [134] Marc Henry, Jean Pierre Jolivet, Jacques Livage, in Chemistry, Spectroscopy and Applications of Sol-Gel Glasses, Springer, Berlin Heidelberg 1992, 153-206.

• Pedley [135] J.B. Pedley, R.D. Naylor, S.P. Kirby: Thermochemical Data of Organic Compounds, Second Edition. Chapman and Hall, London and New York 1986.

• Polymer [136] Jiri Vohlidal, Alois Julak, Karel Stulik: Chemicke a analyticke tabulky. GRADA Publishing, Praha 1999. [137] Laurens van Krevelen, K. te Nijenhuis: Properties of Polymers, 4th Edition. Elsevier, Amsterdam 2009.

• Ricci [138] John E. Ricci, J. Am. Chem. Soc. 70(1) (1948) 109-113. [139] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988.

• Sanderson [140] Robert Thomas Sanderson: Chemical Bonds and Bond Energy. Academic Press, Inc., New York 1971. [141] Robert Thomas Sanderson: Chemical Bonds and Bond Energy, Second Edition. Academic Press, Inc., New York 1976. [142] Robert Thomas Sanderson: Polar Covalence. Academic Press, Inc., New York

[143] Robert Thomas Sanderson, J. Chem. Educ. 29(11) (1952) 539-544. [144] Robert Thomas Sanderson, J. Chem. Educ. 31(1) (1954) 2-7. [145] Robert Thomas Sanderson, J. Chem. Educ. 31(5) (1954) 238-245. [146] Robert Thomas Sanderson, J. Chem. Educ. 32(3) (1955) 140-141. [147] Robert Thomas Sanderson, J. Chem. Educ. 41(6) (1964) 331-333. [148] Robert Thomas Sanderson, J. Chem. Educ. 41(7) (1964) 361-366. [149] Robert Thomas Sanderson, J. Inorg. Nucl. Chem. 27 (1965) 989-992. [150] Robert Thomas Sanderson, J. Am. Chem. Soc. 79(6) (1975) 1367-1372. [151] Robert Thomas Sanderson, J. Org. Chem. 47 (1982) 3835-3839. [152] Robert Thomas Sanderson, J. Am. Chem. Soc. 105 (1983) 2259-2261. [153] Robert Thomas Sanderson, Inorg. Chem. 25 (1986) 1856-1858. [154] Robert Thomas Sanderson, Inorg. Chem. 25 (1986) 3518-3522. [155] Robert Thomas Sanderson, J. Chem. Educ. 65(2) (1988) 112-118. [156] Robert Thomas Sanderson, J. Chem. Educ. 65(3) (1988) 227-231. [157] Stepan S. Batsanov, Andrei S. Batsanov: Introduction to Structural Chemistry. Springer Science+Business Media, Dordrecht 2012.

• Simamora [158] Robert S. Boethling (Ed.) et al: Handbook of Property Estimation Methods for Chemicals: Environmental and Health Sciences. CRC Press LLC, Boca Raton 2000. [159] Joseph F. Krzyzaniak, Paul B. Myrdal, Pahala Simamora, and Samuel H. Yalkowsky, Ind. Eng. Chem. Res. 34 (1995) 2530-2535. [160] Pahala Simamora, Samuel H. Yalkowsky, Ind. Eng. Chem. Res. 33 (1994) 1405-1409. [161] Pahala Simamora, Allan H. Miller, Samuel H. Yalkowsky, J. Chem. Inf. Comput. Sci. 33 (1993) 437-440. [162] P. Simamora, S. H. Yalkowsky, SAR and QSAR in Environmental Research, Vol.1, pp. 293-300, Gordon and Breach Science Publishers S.A. 1993.

• Yamada [163] Shinkichi Yamada, Motoharu Tanaka, J. Inorg. Nucl. Chem. 37(2) (1975) 587-589. [164] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988.

• Yingst [165] Austin Yingst, Darl H. McDaniel, Inorganic Chemistry 6(5) (1967) 1067.

• Zhou [166] Manfred Eigen, Z. Phys. Chem. 1 (1954) 176-200. [167] Manfred Eigen, Z. Electrochem. 64 (1960) 115-130. [168] Raymond M. Fuoss, J. Am. Chem. Soc. 80(19) (1958) 5059-5061. [169] Itamar Bodek, Warren J. Lyman, William F. Reehl, David H. Rosenblatt (Eds.): Environmental Inorganic Chemistry. Properties, Processes, and Estimation Methods. Pergamon Press, New York, Oxford, Beijing, Frankfurt, Sao Paulo, Sydney, Tokyo, Toronto 1988. [170] Ralph G. Wilkins: Kinetics and Mechanism of Reactions of Transition Metal Complexes, 2nd Edition. Wiley-VCH, Weinheim 2002. [171] G. Q. Zhou, W. Z. Zhong, Eur. J. Biochem. 128 (1982) 383.

• Zuman I [172] Petr Zuman: Vplyvy substituentov v organickej polarografii. Nakladatelstvo Alfa, Bratislava 1970.

• Zuman II [173] Petr Zuman: Vplyvy substituentov v organickej polarografii. Nakladatelstvo Alfa, Bratislava 1970.

• Zuman III [174] Petr Zuman: Vplyvy substituentov v organickej polarografii. Nakladatelstvo Alfa, Bratislava 1970.

• Zuman IV [175] Petr Zuman: Vplyvy substituentov v organickej polarografii. Nakladatelstvo Alfa, Bratislava 1970.

• Zuman V [176] Petr Zuman: Vplyvy substituentov v organickej polarografii. Nakladatelstvo Alfa, Bratislava 1970.

• Zuman VI [177] Petr Zuman: Vplyvy substituentov v organickej polarografii. Nakladatelstvo Alfa, Bratislava 1970.

• Zuman VII [178] Petr Zuman: Vplyvy substituentov v organickej polarografii. Nakladatelstvo Alfa, Bratislava 1970.

Info on licenses: please see the full-text licenses in the app under the corresponding buttons.

ACKNOWLEDGEMENTS:

The authors appreciate the financial support from the GACR projects 18-12150S, 19-22806S, 21-23261S, 23-06465S, and internal (institutional) support RVO: 61388955.