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1

Interrelation between H-Bond and Pi-Electron Delocalization

Sobczyk, Lucjan, Grabowski, Sławomir Janusz, Krygowski, Tadeusz Marek

Journal:

Chemical Reviews

Year:

2005

Language:

english

File:

PDF, 1.07 MB

english, 2005

2

Where the two carbon atoms touch in the triple bond in disubstituted acetylenes: the AIM analysis

Tadeusz Marek Krygowski, Sławomir J. Grabowski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 247 KB

english, 2004

3

The substituent effect in ethylenes and acetylenes – AIM analysis

Sławomir J. Grabowski, Maciej A. Walczak, T. Marek Krygowski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 368 KB

english, 2004

4

Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization

Góra, Robert W., Maj, Michał, Grabowski, Sławomir J.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.99 MB

english, 2013

5

Reaction pathway of proton transfer from the neutral to zwitterionic forms of amino acids. Support for a water molecule-mediated mechanism

Sławomir J. Grabowski, Tadeusz M. Krygowski, Beata Stȩpień

Journal:

Journal of Physical Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 74 KB

english, 2000

6

Molecular Geometry as a Source of Chemical Information: Applications of the Bond Valence Bond Number Models

Slawomir J. Grabowski, Tadeusz M. Krygowski

Journal:

Year:

2003

File:

PDF, 4 KB

2003

7

How Short Can the H×××H Intermolecular Contact Be? New Findings that Reveal the Covalent Nature of Extremely Strong Interactions.

Slawomir J. Grabowski, W. Andrzej Sokalski, Jerzy Leszczynski

Journal:

Year:

2005

File:

PDF, 9 KB

2005

8

Interrelation Between H-Bond and Pi-Electron Delocalization

Lucjan Sobczyk, Slawomir Janusz Grabowski, Tadeusz Marek Krygowski

Journal:

Year:

2006

File:

PDF, 8 KB

2006

9

Atom-atom potential calculations on two mechanisms for proton transfer in carboxylic acid dimers

Sławomir J. Grabowski, Tadeusz M. Krygowski

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 237 KB

english, 1988

10

Intramolecular hydrogen bonds in crystals of thiophosphorylbenzopyrane derivatives – X-ray and FT-IR studies

Agnieszka J. Rybarczyk-Pirek, Alina T. Dubis, Sławomir J. Grabowski, Jolanta Nawrot-Modranka

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 969 KB

english, 2006

11

X–H⋯π and X–H⋯N hydrogen bonds – Acetylene and hydrogen cyanide as proton acceptors

Małgorzata Domagała, Sławomir J. Grabowski

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 554 KB

english, 2009

12

Crystal and molecular structure of (r-2, c-4)-3-benzyl-2,4,5,5-tetraphenyl1,3-thiazolidine, intramolecular C–H⋯S hydrogen bonds

Małgorzata Domagała, Sławomir J. Grabowski, Katarzyna Urbaniak, Grzegorz Mlostoń

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 239 KB

english, 2004

13

Halogen bonding in crystal structure of 1-methylpyrrol-2-yl trichloromethyl ketone

Elżbieta Bilewicz, Agnieszka J. Rybarczyk-Pirek, Alina T. Dubis, Sławomir J. Grabowski

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 550 KB

english, 2007

14

Crystal and molecular structures of 3-[1-(2-hydroxyethylamino)-ethylidene]-chroman-2,4-dione and 2-methoxy-3-[1-(benzylamino)-ethylidene]-2,3-dihydro-2,4-dioxo-2λ5-benzo[e][1,2]oxaphosphinane and DFT study of intramolecular H-bonds of related compounds

Magdalena Małecka, Sławomir J. Grabowski, Elżbieta Budzisz

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 426 KB

english, 2004

15

Blue-shifting C–H…Y intramolecular hydrogen bonds – DFT and AIM analyses

Sławomir Wojtulewski, Sławomir J. Grabowski

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 322 KB

english, 2005

16

Attractive halogen–halogen interactions: F3CCl⋯FH and F3CCl⋯FCH3 dimers

Sławomir J. Grabowski, Andrzej J. Sadlej, W. Andrzej Sokalski, Jerzy Leszczynski

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 195 KB

english, 2006

17

Wide spectrum of H⋯H interactions: van der Waals contacts, dihydrogen bonds and covalency

Sławomir J. Grabowski, W. Andrzej Sokalski, Jerzy Leszczynski

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 706 KB

english, 2007

18

The enhancement of X–H⋯π hydrogen bond by cooperativity effects – Ab initio and QTAIM calculations

Sławomir J. Grabowski, Jerzy Leszczynski

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 321 KB

english, 2009

19

Hydrocarbons as proton donors in C–H⋯N and C–H⋯S hydrogen bonds

Małgorzata Domagała, Sławomir J. Grabowski

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 334 KB

english, 2010

20

Different donors and acceptors for intramolecular hydrogen bonds

Sławomir Wojtulewski, Sławomir J Grabowski

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 200 KB

english, 2003

21

Strong dihydrogen bonds – ab initio and atoms in molecules study

Sławomir J. Grabowski, Teri L. Robinson, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 183 KB

english, 2004

22

H⋯σ interactions – an ab initio and `atoms in molecules' study

Jaroslaw J. Szymczak, Sławomir J. Grabowski, Szczepan Roszak, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 331 KB

english, 2004

23

Hydride bonding – Ab initio studies of BeH2…Li+, BeH2…Na+ and BeH2…Mg2+ model systems

Sławomir J. Grabowski, W. Andrzej Sokalski, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 206 KB

english, 2006

24

Cooperativity halogen bonding effect – Ab initio calculations on H2CO⋯(ClF)n complexes

Sławomir J. Grabowski, Elżbieta Bilewicz

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 199 KB

english, 2006

25

Can H…σ, π…H+…σ and σ…H+…σ interactions be classified as H-bonded?

Sławomir J. Grabowski, W. Andrzej Sokalski, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 336 KB

english, 2006

26

Covalent character of three-center, two-electron systems – and

Sławomir J. Grabowski

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 293 KB

english, 2007

27

High-level ab initio calculations on low barrier hydrogen bonds and proton bound homodimers

Sławomir J. Grabowski, Jesus M. Ugalde

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 639 KB

english, 2010

28

Intramolecular carbonyl⋯carbonyl interactions in W, Mo and Fe complexes containing the η1-N-maleimidato ligand: X-ray, DFT and AIM studies

Marcin Palusiak, Bogna Rudolf, Janusz Zakrzewski, Arno Pfitzner, Manfred Zabel, Sławomir J. Grabowski

Journal:

Journal of Organometallic Chemistry

Year:

2006

Language:

english

File:

PDF, 459 KB

english, 2006

29

Inter- and intramolecular hydrogen bonds – Structures of 1-methylpyrrole-2-carboxamide and 1-hydroxypyrrole-2-carboxamide

Sławomir J. Grabowski, Marcin Palusiak, Alina T. Dubis, Arno Pfitzner, Manfred Zabel

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 427 KB

english, 2007

30

Are the O–H⋯H–C intramolecular systems of 2-cyclopropyl ethenol and its derivatives classified as dihydrogen bonds? Ab initio and DFT study

Marcin Palusiak, Sławomir J. Grabowski

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 177 KB

english, 2004

31

N–H…O intramolecular hydrogen bonds – The influence of external agents on π-electron delocalization

Sławomir J. Grabowski

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 291 KB

english, 2007

32

Theoretical evidence for a new kind of intramolecular dihydrogen bond

Sławomir Janusz Grabowski

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

33

A new measure of hydrogen bonding strength – ab initio and atoms in molecules studies

Sławomir J. Grabowski

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

34

Crystal and molecular structure of phenazine–3,5-dinitrobenzoic acid complex, C12H8N2·C7H4O6N2

Slawomir Grabowski, Robert G. Delaplane, Ivar Olovsson

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 127 KB

english, 2001

35

Unconventional F–H⋯π hydrogen bonds — ab initio and AIM study

Sławomir Wojtulewski, Sławomir J. Grabowski

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 83 KB

english, 2002

36

Acetylene as potential hydrogen-bond proton acceptor

Steve Scheiner, Sławomir J Grabowski

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 289 KB

english, 2002

37

Ab initio and AIM studies on measures of hydrogen bonding strength—R–CN⋯HF and R–CN⋯HCl complexes

Sławomir J Grabowski

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 143 KB

english, 2002

38

Methoxy group as an acceptor of proton in hydrogen bonds

Marcin Palusiak, Sławomir J Grabowski

Journal:

Journal of Molecular Structure

Year:

2002

Language:

english

File:

PDF, 196 KB

english, 2002

39

Ab initio and AIM studies on intramolecular dihydrogen bonds

Sławomir Wojtulewski, Sławomir J. Grabowski

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 238 KB

english, 2003

40

Angular Group Induced Bond Alternation (AGIBA). Part 4: Does the Effect Operate in the Systems with Alternated Bonds?

Tadeusz M. Krygowski, Edyta Pindelska, Michał K. Cyrański, Sławomir J. Grabowski

Journal:

Year:

2000

Language:

english

File:

PDF, 130 KB

english, 2000

41

Estimation of the proton position and the energy of O-H..O bridges in crystals from X-ray diffraction data

Slawomir J. Grabowski, Tadeusz M. Krygowski

Journal:

Year:

1998

Language:

english

File:

PDF, 546 KB

english, 1998

42

Analysis of CO…HO interactions in organic crystal structures

Slawomir Janusz Grabowski

Journal:

Year:

1998

Language:

english

File:

PDF, 401 KB

english, 1998

43

Water molecules as a gluing factor in organic crystals and biological systems

Tadeusz M. Krygowski, Slawomir J. Grabowski, Jerzy Konarski

Journal:

Year:

1998

Language:

english

File:

PDF, 300 KB

english, 1998

44

DFT and AIM studies on two-ring resonance assisted hydrogen bonds

Sławomir Wojtulewski, Sławomir J Grabowski

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 163 KB

english, 2003

45

Vibrational spectrum of methyl pyrrole-2-carboxylate

Alina T Dubis, Sławomir J Grabowski

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 103 KB

english, 2002

46

Hydrogen bonds assisted by π-electron delocalization – the influence of external intermolecular interactions on dimer of formic acid

Sławomir J. Grabowski

Journal:

Journal of Physical Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 461 KB

english, 2008

47

Angular group-induced bond alternation (AGIBA). Part 5—Conformation dependence and additivity of the effect: structural studies of 3,5-dimethoxybenzaldehyde derivatives and related systems

Tadeusz M. Krygowski, Edyta Pindelska, Romana Anulewicz-Ostrowska, Sławomir J. Grabowski, Alina T. Dubis

Journal:

Journal of Physical Organic Chemistry

Year:

2001

Language:

english

File:

PDF, 100 KB

english, 2001

48

An analysis of bifurcated H-bonds: crystal and molecular structures of O,O-diphenyl 1-(3-phenylthioureido)pentanephosphonate and O,O-diphenyl 1-(3-phenylthioureido)butanephosphonate

Lilianna Chęcińska, Sławomir J. Grabowski, Magdalena Małecka

Journal:

Journal of Physical Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

49

π-Electron delocalisation for intramolecular resonance assisted hydrogen bonds

Sławomir Janusz Grabowski

Journal:

Journal of Physical Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 89 KB

english, 2003

50

Hydrogen bonding strength—measures based on geometric and topological parameters

Sławomir Janusz Grabowski

Journal:

Journal of Physical Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 197 KB

english, 2004

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