Adam Jarmuła, Romana Anulewicz, Andrzej Leś, Michał K Cyrański, Ludwik Adamowicz, Maria Bretner, Krzysztof Felczak, Tadeusz Kulikowski, Tadeusz M Krygowski and Wojciech Rode

Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology, 1998, 1382, 277
DOI: 10.1016/S0167-4838(97)00169-6

Die Fragmentierung von α‐Aminoketoximen. BECKMANN‐Reaktionen zweiter Art. I. Teil. Fragmentierungs‐Reaktionen. 4. Mitteilung

H. P. Fischer, C. A. Grob and E. Renk

Helvetica Chimica Acta, 1962, 45, 2539
DOI: 10.1002/hlca.19620450724

Estimation of Substituent Group Electronic Influence from Molecular Connectivity Delta Values

Lemont B. Kier and Lowell H. Hall

Quant. Struct.‐Act. Relat., 1983, 2, 163
DOI: 10.1002/qsar.19830020404

How H-Bonding Affects Aromaticity of the Ring in Variously Substituted Phenol Complexes with Bases. 4. Molecular Geometry as a Source of Chemical Information

Tadeusz M. Krygowski, Halina Szatyłowicz and Joanna E. Zachara

J. Chem. Inf. Comput. Sci., 2004, 44, 2077
DOI: 10.1021/ci049817s

Die solvoltische Decarboxylierung von α, β‐ungesättigeten β‐Halogensäuren Fragmentierungsreaktionen, 9. Miteilung

C. A. Grob, J. Csapilla and G. Cseh

Helvetica Chimica Acta, 1964, 47, 1590
DOI: 10.1002/hlca.19640470621

Relation between the substituent effect and aromaticity. Part II. The case of meta‐ and para‐homodisubstituted benzene derivatives

Tadeusz M. Krygowski, Michal A. Dobrowolski, Krzysztof Zborowski and Michal K. Cyrański

J of Physical Organic Chem, 2006, 19, 889
DOI: 10.1002/poc.1039

Hyperkonjugation

Friedrich Becker

Angewandte Chemie, 1953, 65, 97
DOI: 10.1002/ange.19530650402

An electronegativity model for vibrational intensities of substituted methanes

B. B. Neto, I. S. Scarminio and R. E. Bruns

The Journal of Chemical Physics, 1988, 89, 1887
DOI: 10.1063/1.455084

Bond Lengthening by Lone Pairs

Henry A. Bent

The Journal of Chemical Physics, 1962, 36, 1090
DOI: 10.1063/1.1732653

Influence of substituents on the Mills-Nixon effect in some naphthodicyclobutenes and naphthodicyclobutadienes

M. Hodošček, D. Kovaček and Z.B. Maksić

Journal of Molecular Structure: THEOCHEM, 1993, 281, 213
DOI: 10.1016/0166-1280(93)87077-Q

Electronegativity of Radicals. A Method of Calculation

J. K. Wilmshurst

The Journal of Chemical Physics, 1957, 27, 1129
DOI: 10.1063/1.1743944

Some INDO calculations of 1J(PC) and 1J(PF) values

S. Duangthai and G. A. Webb

Org. Magn. Reson., 1983, 21, 125
DOI: 10.1002/omr.1270210210

X-ray Crystal and Ab Initio Structures of 3′,5′-di-O-Acetyl-N(4)-Hydroxy-2′-Deoxycytidine and Its 5-Fluoro Analogue: Models of the N(4)-OH-dCMP and N(4)-OH-FdCMP Molecules Interacting with Thymidylate Synthase

Adam Jarmuła, Wojciech R. Rypniewski, Krzysztof Felczak and Wojciech Rode

Struct Chem, 2005, 16, 541
DOI: 10.1007/s11224-005-6058-9

Microwave Spectrum of Bromocyclobutane

W. G. Rothschild and B. P. Dailey

The Journal of Chemical Physics, 1962, 36, 2931
DOI: 10.1063/1.1732404

Reactivity of an electrophilic hypervalent iodine trifluoromethylation reagent with hydrogen phosphates—A mechanistic study

Nico Santschi, Patrik Geissbühler and Antonio Togni

Journal of Fluorine Chemistry, 2012, 135, 83
DOI: 10.1016/j.jfluchem.2011.08.014

H-Bonded Complexes of Aniline with HF/F− and Anilide with HF in Terms of Symmetry-Adapted Perturbation, Atoms in Molecules, and Natural Bond Orbitals Theories

Halina Szatyłowicz, Tadeusz M. Krygowski, Jarosław J. Panek and Aneta Jezierska

J. Phys. Chem. A, 2008, 112, 9895
DOI: 10.1021/jp803592v

The influence of conjugation on heterolytic dissociation energies - References

Proc. R. Soc. Lond. A, 1951, 207, 133
DOI: 10.1098/rspa.1951.0107

Relations between electronegativity differences, ionization energies and dissociation energies

R.R. Reddy, A.S.R. Reddy and S. Anjaneyulu

Journal of Molecular Structure: THEOCHEM, 1993, 280, 17
DOI: 10.1016/0166-1280(93)87089-V

Influence of Carbon Group Substituents on Bond Shift and Electrochemical Reduction of Cyclooctatetraene

Stuart W. Staley, Russell A. Grimm and Rachel A. Sablosky

J. Am. Chem. Soc., 1998, 120, 3671
DOI: 10.1021/ja963359p

Interrelations between the Mesomeric and Electronegativity Effects inPara-Substituted Derivatives of Phenol/Phenolate and Aniline/Anilide H-Bonded Complexes: A DFT-Based Computational Study

Halina Szatyłowicz, Tadeusz M. Krygowski, Aneta Jezierska and Jarosław J. Panek

J. Phys. Chem. A, 2009, 113, 5800
DOI: 10.1021/jp8109258

ESCA, Solid-State NMR, and X-Ray Diffraction Studies of Perisubstituted Naphthalene Derivatives

Krzysztof Wozniak, Heyong He, Jacek Klinowski, Tery L. Barr and Steven E. Hardcastle

J. Phys. Chem., 1996, 100, 11408
DOI: 10.1021/jp961029l

The Microwave Spectra, Structure, and Dipole Moments of Ethylene Oxide and Ethylene Sulfide

George L. Cunningham, A. W. Boyd, Rollie J. Myers, William D. Gwinn and W. I. Le Van

The Journal of Chemical Physics, 1951, 19, 676
DOI: 10.1063/1.1748331

Elektronegativität und Moleküleigenschaften

D. Bergmann and Juergen Hinze

Angewandte Chemie, 1996, 108, 162
DOI: 10.1002/ange.19961080205

Planarization of 1,3,5,7-cyclooctatetraene as a result of a partial rehybridization at carbon atoms: an MP2/6-31G∗ and B3LYP/6-311G∗∗ study

Tadeusz M. Krygowski, Edyta Pindelska, Michał K. Cyrański and Günter Häfelinger

Chemical Physics Letters, 2002, 359, 158
DOI: 10.1016/S0009-2614(02)00681-4

Localized Bonds in SCF Wavefunctions for Polyatomic Molecules. III C–H and C–C Bonds

Marshall D. Newton, Eugene Switkes and William N. Lipscomb

The Journal of Chemical Physics, 1970, 53, 2645
DOI: 10.1063/1.1674384

Spektroskopische Untersuchungen an Siliciumverbindungen. XXVIII. Spektroskopische Untersuchungen zu den Eigenschaften der SiH‐Bindung in trisubstituierten Silanen

G. Kessler and H. Kriegsmann

Zeitschrift anorg allge chemie, 1966, 342, 53
DOI: 10.1002/zaac.19663420109

Potential energy surface for the Li+HF→LiF+H reaction

Maynard M. L. Chen and Henry F. Schaefer

The Journal of Chemical Physics, 1980, 72, 4376
DOI: 10.1063/1.439728

Structural aspects of the intermolecular hydrogen bond strength: H‐bonded complexes of aniline, phenol and pyridine derivatives

Halina Szatyłowicz

J of Physical Organic Chem, 2008, 21, 897
DOI: 10.1002/poc.1394

Dissoziationsenergien organischer Molekeln vom theoretischen und experimentellen Standpunkt

E. Wicke

Zeitschrift für Elektrochemie und angewandte physikalische Chemie, 1950, 54, 27
DOI: 10.1002/bbpc.19500540108

Untersuchungen an molekülkomplexen von n-σ-TYP MITT. I. über freie enthalpie—kraftkonstantenkorrelationen von molekülkomplexen des jods m

K. Niendorf and R. Paetzold

Journal of Molecular Structure, 1973, 19, 693
DOI: 10.1016/0022-2860(73)85147-6

Protonation and rehybridization: A combined ab initio and semiempirical study

Z.B. Maksić, M. Eckert-maksić, P.N. Skancke and A. Skancke

Journal of Molecular Structure: THEOCHEM, 1988, 169, 447
DOI: 10.1016/0166-1280(88)80276-8

Hybrid Orbitals and Their Applications in Structural Chemistry

Werner A. Bingel and Wolfgang Lüttke

Angew. Chem. Int. Ed. Engl., 1981, 20, 899
DOI: 10.1002/anie.198108993

Hybridorbitale und ihre Anwendungen in der Strukturchemie

Werner A. Bingel and Wolfgang Lüttke

Angewandte Chemie, 1981, 93, 944
DOI: 10.1002/ange.19810931105

Quantum mechanical study of substituted phenoxathiin II: A study of the structure of phenoxathiin diazonium compounds

Iman A. Gad El-karim

Computational and Theoretical Chemistry, 2011, 974, 92
DOI: 10.1016/j.comptc.2011.07.017

Why do fluorines rotate “outside” in conrotatory cyclobutene ring opening?

N.D. Epiotis

Journal of Molecular Structure: THEOCHEM, 1990, 207, 225
DOI: 10.1016/0166-1280(90)85026-J

Etudes cinétiques en série alicyclique‐I Substitution nucléophile bimoléculaire réversible, par les ions iodures, des bromures de cyclobutyle, cyclopentyle, cyclohexyle, et cyeloheptyle

P. J. C. Fierens and P. Verschelden

Bulletin des Soc Chimique, 1952, 61, 427
DOI: 10.1002/bscb.19520610708

Synthesis and Characterization of the Monomeric Diaryls M{C6H3-2,6-Mes2}2 (M = Ge, Sn, or Pb; Mes = 2,4,6-Me3C6H2−) and Dimeric Aryl−Metal Chlorides [M(Cl){C6H3-2,6-Mes2}]2 (M = Ge or Sn)

Richard S. Simons, Lihung Pu, Marilyn M. Olmstead and Philip P. Power

Organometallics, 1997, 16, 1920
DOI: 10.1021/om960929l

The study of relationship between chemical geometry and electronic configuration, non-Walsh type B Part II

A.H. Pakiari and F. Nazari

Journal of Molecular Structure: THEOCHEM, 2005, 717, 189
DOI: 10.1016/j.theochem.2004.11.023

Vibrational Structure and Vibronic Coupling in the Carbon 1s Photoelectron Spectra of Ethane and Deuteroethane

Tor Karlsen, Leif J. Sæthre,, Knut J. Børve, Nora Berrah, Edwin Kukk, John D. Bozek, Thomas X. Carroll and T. Darrah Thomas

J. Phys. Chem. A, 2001, 105, 7700
DOI: 10.1021/jp010863u

The gas-phase acidities of the elemental hydrides are functions of electronegativity and bond length

John E Bartmess and Robert J Hinde

Can. J. Chem., 2005, 83, 2005
DOI: 10.1139/v05-218

THE APPLICATION OF SIMPLE-HARMONIC-OSCILLATOR CALCULATIONS (HOSE-MODEL) TO CRYSTALLOGRAPHICALLY STUDIEDN-PHOSPHORYL-N,N′-DISUBSTITUTED THIOUREAS

Janina Karolak-wojciechowska

Phosphorus and Sulfur and the Related Elements, 1985, 25, 229
DOI: 10.1080/03086648508072738

Effect of the electronegativity on the electrosorption selectivity of anions during capacitive deionization

Zhumei Sun, Liyuan Chai, Mingshi Liu, Yude Shu, Qingzhu Li, Yunyan Wang and Dingfan Qiu

Chemosphere, 2018, 195, 282
DOI: 10.1016/j.chemosphere.2017.12.031

Thermochemical data for adducts of ε-caprolactam with zinc(II) family metal halides

Zelma R. da Silva, JoséC. de Queiroz, Eunice F.S. Vieira and Francisco S. Dias

Thermochimica Acta, 1996, 285, 289
DOI: 10.1016/0040-6031(96)02911-5

Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium−Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon

Klas Sorger, Paul von Ragué Schleyer and Dietmar Stalke

J. Am. Chem. Soc., 1996, 118, 1086
DOI: 10.1021/ja9521280

Conformational Analysis and Kinetics of Ring Inversion for Methylene- and Dimethylsilyl-Bridged Dicyclooctatetraene

Stuart W. Staley, Scott A. Vignon and Bertil Eliasson

J. Org. Chem., 2001, 66, 3871
DOI: 10.1021/jo001793a

Ionization potential of astrophysically important molecules

R.R. Reddy, Y.Nazeer Ahammed, K.Rama Gopal, P.Abdul Azeem and T.V.R. Rao

Journal of Quantitative Spectroscopy and Radiative Transfer, 2000, 67, 85
DOI: 10.1016/S0022-4073(99)00186-7

Varying Electronegativity of OH/O-Groups Depending on the Nature and Strength of H-Bonding in Phenol/Phenolate Involved in H-Bond Complexation

Tadeusz M. Krygowski and Halina Szatyłowicz

J. Phys. Chem. A, 2006, 110, 7232
DOI: 10.1021/jp0605496

Crystallographic studies of intra- and intermolecular interactions. Part 4. A comparative study of the effect of through-resonance on the geometry of p-nitro- and p-nitrosophenolate anions

T. M. Krygowski, M. K. Kalinowski, I. Turowska-Tyrk, P. C. Hiberty, P. Milart, A. Silvestro, R. D. Topsom and S. Daehne

Struct Chem, 1991, 2, 71
DOI: 10.1007/BF00673492

Infra-red intensities of vibrations of the carbon-hydrogen bond, and its dipole moment function

G.J Boobyer

Spectrochimica Acta Part A: Molecular Spectroscopy, 1967, 23, 335
DOI: 10.1016/0584-8539(67)80236-8

Structure of CH2

G. A. Gallup

The Journal of Chemical Physics, 1957, 26, 716
DOI: 10.1063/1.1743388

Die Bedeutung des Valenzzustandes gebundener Kohlenstoffatome für die Dissoziationsenergien organischer Molekeln

L. H. Long

Zeitschrift für Elektrochemie und angewandte physikalische Chemie, 1950, 54, 77
DOI: 10.1002/bbpc.19500540119

Hybridization and bond properties Effects of second-order hybridization on the σ-bonds in thionyl, sulphuryl, phosphorus, phosphoryl and thiophosphoryl halides

H.A. Bent

Journal of Inorganic and Nuclear Chemistry, 1961, 19, 43
DOI: 10.1016/0022-1902(61)80044-4

Tadeusz Marek Krygowski—from aromaticity through X‐ray crystallography to interpretative structural Chemistry

Günter Häfelinger

J of Physical Organic Chem, 2003, 16, 639
DOI: 10.1002/poc.674

CO…HC interactions as packing motifs in crystals: Part 3. Impact of chloro-substituents on the structures of N-(chloro)-benzyl-3-spirocycloalkylopyrrolidine-2,5-diones

J. Karolak-Wojciechowska, A. Dzierżwska-Majewska and J. Obniska

Journal of Molecular Structure, 2008, 876, 294
DOI: 10.1016/j.molstruc.2007.07.004

Effects of Alkyl Groups in Electrophilic Additions and Substitutions

HENRY COHN, E. D. HUGHES, M. H. JONES and MARION G. PEELING

Nature, 1952, 169, 291
DOI: 10.1038/169291a0

Spectroscopic studies of metal-phosphorus bonding in coordination complexes

J.G. Verkade

Coordination Chemistry Reviews, 1972, 9, 1
DOI: 10.1016/S0010-8545(00)80224-6

A Study of Carbon-Fluorine Bond

Arjun Singh Rajput, Gopal Krishna Pandey and Suresh Chandra

Bulletin of the Chemical Society of Japan, 1967, 40, 2424
DOI: 10.1246/bcsj.40.2424

Correlation of the C–H Stretching Force Constant with the Nuclear 13C–H Coupling Constant

Theodore L. Brown and Janice C. Puckett

The Journal of Chemical Physics, 1966, 44, 2238
DOI: 10.1063/1.1727028

Energetics of Bond Shift in Monohalogen-Substituted Cyclooctatetraenes

Stuart W. Staley, Russell A. Grimm, Gregory S. Martin and Rachel A. Sablosky

Tetrahedron, 1997, 53, 10093
DOI: 10.1016/S0040-4020(97)00350-5

Rates of Isotopic Reactions between Methyl and Hydrogen

J. C. Polanyi

The Journal of Chemical Physics, 1955, 23, 1505
DOI: 10.1063/1.1742338

Substituent effects on nuclear spin–spin carbon–carbon coupling constants in derivatives of acetylene

K. Kamienska‐Trela, Z. Biedrzycka, R. Machinek, B. Knieriem and W. Lüttke

Org. Magn. Reson., 1984, 22, 317
DOI: 10.1002/mrc.1270220509

The E-State as an Extended Free Valence

Lemont B. Kier and Lowell H. Hall

J. Chem. Inf. Comput. Sci., 1997, 37, 548
DOI: 10.1021/ci970002b

Use of Infrared and Raman spectroscopy in the study of organometallic compounds

D.K. Huggins and H.D. Kaesz

Progress in Solid State Chemistry, 1964, 1, 417
DOI: 10.1016/0079-6786(64)90012-3

Etude spectroscopique et theorique de derives aromatiques du silicium, du germanium et de l'etain

Jean Marrot and Jean-Claude Maire

Journal of Organometallic Chemistry, 1978, 157, 7
DOI: 10.1016/S0022-328X(00)83291-X

Electronic Substituent Effects in Bicyclo[1.1.1]pentane and [n]Staffane Derivatives: A Quantum Chemical Study Based on Structural Variation

Anna Rita Campanelli, Aldo Domenicano, Giovanni Piacente and Fabio Ramondo

J. Phys. Chem. A, 2010, 114, 5162
DOI: 10.1021/jp909530u

Anab initioSCF-LCAO-MO study of the phosphorus pyramidal inversion process in phosphine

J.M. Lehn and B. Munsch

Molecular Physics, 1972, 23, 91
DOI: 10.1080/00268977200100081

Electronegativity and resonance parameters from the geometry of monosubstituted benzene rings

Anna Rita Campanelli, Aldo Domenicano, Marina Macchiagodena and Fabio Ramondo

Struct Chem, 2011, 22, 1131
DOI: 10.1007/s11224-011-9806-z

Hybridation et réactivité I.‐Introduction à une série d'articles‐Hydrolyse alcaline de l'acrylate et du propiolate de méthyle

P. J. C. Fierens, J. Jaminet and P. Kruys

Bulletin des Soc Chimique, 1955, 64, 535
DOI: 10.1002/bscb.19550640903

A molecular orbital theory of hydrocarbons

J.A. Pople and D.P. Santry

Molecular Physics, 1965, 9, 301
DOI: 10.1080/00268976500100431

Correlation of Bond Shortening by Electronegative Substituents with Orbital Hybridization

Henry A. Bent

The Journal of Chemical Physics, 1960, 33, 1259
DOI: 10.1063/1.1731374

Bindungs‐ und Strukturprobleme in Schwefel‐Sauerstoff‐ und Selen‐Sauerstoff‐Verbindungen)

Roland Paetzold

Zeitschrift fuer Chemie, 1964, 4, 321
DOI: 10.1002/zfch.19640040902

Der Einfluß der Ringgröße auf die Schwingungsspektren cyclischer Äther, Thioöther und Imine

E. Lippert and H. Prigge

Ber Bunsenges Phys Chem, 1963, 67, 554
DOI: 10.1002/bbpc.19630670605

r0 Geometries of fluorobenzenes and distortions in benzene ring structure on substitution

S. Doraiswamy and S.D. Sharma

Journal of Molecular Structure, 1983, 102, 81
DOI: 10.1016/0022-2860(83)80008-8

Die Solvolyse von α‐Bromstyrolen Substitution am ungesättigten trigonalen Kohlenstoffatom

C. A. Grob and G. Cseh

Helvetica Chimica Acta, 1964, 47, 194
DOI: 10.1002/hlca.19640470126

Varying electronegativity: Effect of the nature and strength of H-bonding in anilide/aniline/anilinium complexes on the electronegativity of NH-/NH2/NH3+ groups

Halina Szatyłowicz and Tadeusz M. Krygowski

Journal of Molecular Structure, 2007, 844-845, 200
DOI: 10.1016/j.molstruc.2007.04.018

The cyclopropyl radical

H.M. Walborsky

Tetrahedron, 1981, 37, 1625
DOI: 10.1016/S0040-4020(01)98924-0

Protonenresonanzspektroskopische Untersuchungen der Kohlenstoffhybridisierung in gesättigten cyclischen Kohlenwasserstoffen, Äthern, Thioäthern und Iminen

Ernst Lippert and Helmut Prigge

Ber Bunsenges Phys Chem, 1963, 67, 415
DOI: 10.1002/bbpc.19630670414

Intensities of CH stretching modes for some small alicyclics

G.J. Boobyer and S. Weckherlin

Spectrochimica Acta Part A: Molecular Spectroscopy, 1967, 23, 321
DOI: 10.1016/0584-8539(67)80234-4

Heats of Dissociation of Carbon-Hydrogen Bonds in Methane and Its Radicals

K. J. Laidler and E. J. Casey

The Journal of Chemical Physics, 1949, 17, 1087
DOI: 10.1063/1.1747117

Zur deutung von alkylgruppeneffekten bei der nitrierung von methyl-alkyl-hydrochinonäthern mit hilfe eines modifizierten eht-modells

H-D. Scharf, J. Fleischhauer and F. Korte

Tetrahedron, 1970, 26, 2071
DOI: 10.1016/S0040-4020(01)92785-1

Relationship between substituent effect and aromaticity – Part III: naphthalene as a transmitting moiety for substituent effect

Tadeusz M. Krygowski, Marcin Palusiak, Anna Płonka and Joanna E. Zachara‐Horeglad

J of Physical Organic Chem, 2007, 20, 297
DOI: 10.1002/poc.1127

Transmission of electronic substituent effects through cage polycyclic alkanes: a computational study of diamantane derivatives based on structural variation

Anna Rita Campanelli and Aldo Domenicano

Struct Chem, 2014, 25, 691
DOI: 10.1007/s11224-014-0400-z

Energetic and Geometric Characteristics of the Substituents: Part 2: The Case of NO2, Cl, and NH2 Groups in Their Mono-Substituted Derivatives of Simple Nitrogen Heterocycles

Paweł A. Wieczorkiewicz, Halina Szatylowicz and Tadeusz M. Krygowski

Molecules, 2021, 26, 6543
DOI: 10.3390/molecules26216543

Interrelation between H-Bond and Pi-Electron Delocalization

Lucjan Sobczyk, Sławomir Janusz Grabowski and Tadeusz Marek Krygowski

Chem. Rev., 2005, 105, 3513
DOI: 10.1021/cr030083c

Distortions of molecular geometry in pentafluorophenyl rings bonded to metals

J. A. Hermoso, F. H. Cano and M. Martínez-Ripoll

J Chem Crystallogr, 1994, 24, 457
DOI: 10.1007/BF01666095