J. BULTINCK: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

51

Evidence from current-density mapping for σ-delocalisation in the aromatic hexaiodobenzene cation

Remco W.A. Havenith, Patrick W. Fowler, Stijn Fias, Patrick Bultinck

Journal:

Tetrahedron Letters

Year:

2008

Language:

english

File:

PDF, 500 KB

english, 2008

52

Molecular quantum similarity of enantiomers of amino acids: a case study

Greet Boon, Christian Van Alsenoy, Frank De Proft, Patrick Bultinck, Paul Geerlings

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 131 KB

english, 2005

53

Structure–activity analysis on ecdysteroids: A structural and quantum chemical approach based on two biological systems

Noel Ferro, Juan E. Tacoronte, Thomas Reinard, Patrick Bultinck, Luis A. Montero

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 548 KB

english, 2006

54

Bonding, reactivity and aromaticity in the light of the multicenter indices

D.R. Roy, P. Bultinck, V. Subramanian, P.K. Chattaraj

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 198 KB

english, 2008

55

3D QSAR based on conceptual DFT molecular fields: Antituberculotic activity

Sofie Van Damme, Patrick Bultinck

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 354 KB

english, 2010

56

Quantum similarity of isosteres coordinate versus momentum space and influence of alignment

Ricardo Vivas-Reyes, Andersson Arias, Jelle Vandenbussche, Christian Van Alsenoy, Patrick Bultinck

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 270 KB

english, 2010

57

Algebraic relationships between conceptual DFT quantities and the electronegativity equalization hardness matrix

Patrick Bultinck, Ramon Carbó-Dorca

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 93 KB

english, 2002

58

Occurrence of manganese-oxidizing microorganisms and manganese deposition during biofilm formation on stainless steel in a brackish surface water

Jan Kielemoes, Isabelle Bultinck, Hedwig Storms, Nico Boon, Willy Verstraete

Journal:

FEMS Microbiology Ecology

Year:

2002

Language:

english

File:

PDF, 1016 KB

english, 2002

59

Study of ion/molecule reactions of atmospherically important negative ions with methane sulfonic acid

N Schoon, C Amelynck, P Bultinck, E Arijs

Journal:

International Journal of Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 168 KB

english, 2002

60

The use of quantum chemistry in the prediction of ADME-Tox properties

S Van Damme, P Bultinck

Journal:

Chemistry Central Journal

Year:

2008

Language:

english

File:

PDF, 73 KB

english, 2008

61

Computer Modeling of Plasmas and Plasma-Surface Interactions

Annemie Bogaerts, Evi Bultinck, Maxie Eckert, Violeta Georgieva, Ming Mao, Erik Neyts, Laurent Schwaederlé

Journal:

Plasma Processes and Polymers

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

62

Particle-in-Cell/Monte Carlo Collisions Model for the Reactive Sputter Deposition of Nitride Layers

Evi Bultinck, Stijn Mahieu, Diederik Depla, Annemie Bogaerts

Journal:

Plasma Processes and Polymers

Year:

2009

Language:

english

File:

PDF, 280 KB

english, 2009

63

An Atom Counting QSPR Protocol

Santanab Giri, Dehesh R. Roy, Sofie Van Damme, Patrick Bultinck, Venkatesan Subramanian, Pratim K. Chattaraj

Journal:

Molecular Informatics

Year:

2008

Language:

english

File:

PDF, 307 KB

english, 2008

64

An Atom Counting QSPR Protocol

Santanab Giri, Debesh R. Roy, Sofie Van Damme, Patrick Bultinck, Venkatesan Subramanian, Pratim K. Chattaraj

Journal:

Molecular Informatics

Year:

2008

File:

PDF, 81 KB

2008

65

From anisole to 1,2,4,5-tetramethoxybenzene: Theoretical study of the factors that determine the conformation of methoxy groups on a benzene ring

Christophe Vande Velde, Evi Bultinck, Karla Tersago, Christian Van Alsenoy, Frank Blockhuys

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 229 KB

english, 2007

66

Effects and systemic uptake of the new mitomycin C analogue KW-2149 in beagle dogs after intravesical administration

M. Sorber, E. A. Bruijn, M. Kockx, J. Bultinck, A. T. Oosterom, L. Denis

Journal:

Year:

1995

Language:

english

File:

PDF, 609 KB

english, 1995

67

Molecular quantum similarity using conceptual DFT descriptors

Patrick Bultinck, Ramon Carbó-Dorca

Journal:

Journal of Chemical Sciences

Year:

2005

Language:

english

File:

PDF, 93 KB

english, 2005

68

Dual role of endogenous nitric oxide in tumor necrosis factor shock: induced NO tempers oxidative stress

A. Cauwels, J. Bultinck, P. Brouckaert

Journal:

Cellular and Molecular Life Sciences

Year:

2005

Language:

english

File:

PDF, 1.29 MB

english, 2005

69

Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts

Robert Ponec, Patrick Bultinck, Sofie Van Damme, Ramon Carbó-Dorca, Dean J. Tantillo

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2005

Language:

english

File:

PDF, 219 KB

english, 2005

70

The pseudo-π method examined for the computation of multicenter aromaticity indices

Patrick Bultinck, Marcos Mandado, Ricardo Mosquera

Journal:

Journal of Mathematical Chemistry

Year:

2008

Language:

english

File:

PDF, 120 KB

english, 2008

71

Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure

Ramon Carbó-Dorca, Patrick Bultinck

Journal:

Journal of Mathematical Chemistry

Year:

2008

Language:

english

File:

PDF, 83 KB

english, 2008

72

Analyzing Toxicity Through Electrophilicity

D. R. Roy, U. Sarkar, P. K. Chattaraj, A. Mitra, J. Padmanabhan, R. Parthasarathi, V. Subramanian, S. Van Damme, P. Bultinck

Journal:

Molecular Diversity

Year:

2006

Language:

english

File:

PDF, 571 KB

english, 2006

73

An atom counting and electrophilicity based QSTR approach

P. K. Chattaraj, D. R. Roy, S. Giri, S. Mukherjee, V. Subramanian, R. Parthasarathi, P. Bultinck, S. Van Damme

Journal:

Journal of Chemical Sciences

Year:

2007

Language:

english

File:

PDF, 287 KB

english, 2007

74

A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with a series of sesquiterpenes

F. Dhooghe, C. Amelynck, N. Schoon, E. Debie, P. Bultinck, F. Vanhaecke

Journal:

International Journal of Mass Spectrometry

Year:

2008

Language:

english

File:

PDF, 627 KB

english, 2008

75

Role of solution conformation and flexibility of short peptide ligands that bind to the p56lck SH2 domain

Frank J Dekker, Nico J de Mol, Patrick Bultinck, Johan Kemmink, Hans W Hilbers, Rob M.J Liskamp

Journal:

Bioorganic & Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 321 KB

english, 2003

76

Foam cell replication and smooth muscle cell apoptosis in human saphenous vein grafts

M.M. KOCKX, B.A. CAMBIER, H.E. BORTIER, G.R. DE MEYER, S.C. DECLERCQ, P.A. VAN CAUWELAERT, J. BULTINCK

Journal:

Year:

1994

Language:

english

File:

PDF, 795 KB

english, 1994

77

Occurrence of manganese-oxidizing microorganisms and manganese deposition during biofilm formation on stainless steel in a brackish surface water

Jan Kielemoes, Isabelle Bultinck, Hedwig Storms, Nico Boon, Willy Verstraete

Journal:

FEMS Microbiology Ecology

Year:

2002

Language:

english

File:

PDF, 1012 KB

english, 2002

78

A Mathematical Discussion on Density and Shape Functions, Vector Semispaces and Related Questions

Patrick Bultinck, Ramon Carbó-Dorca

Journal:

Journal of Mathematical Chemistry

Year:

2004

Language:

english

File:

PDF, 80 KB

english, 2004

79

A General Procedure to Obtain Quantum Mechanical Charge and Bond Order Molecular Parameters

Ramon Carbó-Dorca, Patrick Bultinck

Journal:

Journal of Mathematical Chemistry

Year:

2004

Language:

english

File:

PDF, 79 KB

english, 2004

80

Critical analysis of the local aromaticity concept in polyaromatic hydrocarbons

Bultinck, Patrick

Journal:

Faraday Discussions

Year:

2006

Language:

english

File:

PDF, 687 KB

english, 2006

81

Computer modelling of magnetron discharges

Bogaerts, Annemie, Bultinck, Evi, Kolev, Ivan, Schwaederlé, Laurent, Van Aeken, Koen, Buyle, Guy, Depla, Diederik

Journal:

Journal of Physics D Applied Physics

Year:

2009

Language:

english

File:

PDF, 1.36 MB

english, 2009

82

Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds

Feixas, Ferran, Vandenbussche, Jelle, Bultinck, Patrick, Matito, Eduard, Solà, Miquel

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.69 MB

english, 2011

83

Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method

Cedillo, Andrés, Neck, Dimitri, Bultinck, Patrick

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 301 KB

english, 2012

84

Ab initio conformational analysis of ethane-1,2-dithiol

P. Bultinck, A. Goeminne, D. Van de Vondel

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 581 KB

english, 1995

85

Ab initio conformational analysis of the chelating bidentate ligands ethylenediamine and 1,3-propanediamine

Patrick Bultinck, Andre Goeminne, Dirk Van de Vondel

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 1.04 MB

english, 1995

86

Ab initio conformational analysis of ethylene glycol and 1,3-propanediol

Patrick Bultinck, Andre Goeminne, Dirk Van de Vondel

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 1.07 MB

english, 1995

87

Ab initio conformational analysis of 1,3-propanedithiol

Patrick Bultinck, Andre Goeminne, Dirk Van de Vondel

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 555 KB

english, 1996

88

Ab initio and molecular mechanics study of 1,2-dimethoxyethane and 12-crown-4

Patrick Bultinck, Andre Goeminne, Dirk Van de Vondel

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 295 KB

english, 1999

89

Striking a Compromise: Polar Functional Group Tolerance versus Insertion Barrier Height for Olefin Polymerization Catalysts

Heyndrickx, Wouter, Occhipinti, Giovanni, Bultinck, Patrick, Jensen, Vidar R.

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 483 KB

english, 2012

90

Molecular Dynamics and Umbrella Sampling Study of Stabilizing Factors in Cyclic Peptide-Based Nanotubes

Vijayaraj, R., Van Damme, S., Bultinck, P., Subramanian, V.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 3.01 MB

english, 2012

91

Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms

Bultinck, P., Carbo-Dorca, R.

Journal:

Journal of Chemical Information and Modeling

Year:

2003

Language:

english

File:

PDF, 144 KB

english, 2003

92

Extending Hirshfeld-I to bulk and periodic materials

Danny E. P. Vanpoucke, Patrick Bultinck, Isabel Van Driessche

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 845 KB

english, 2012

93

Tuning of CeO2 buffer layers for coated superconductors through doping

Danny E.P. Vanpoucke, Stefaan Cottenier, Veronique Van Speybroeck, Patrick Bultinck, Isabel Van Driessche

Journal:

Applied Surface Science

Year:

2012

Language:

english

File:

PDF, 308 KB

english, 2012

94

Substituent effects in 1,4-disubstituted benzene and cyclohexadiene: Olefinic vs aromatic electron shift pathway of the substituent effect

Tadeusz M. Krygowski, Michał A. Dobrowolski, Michał K. Cyrański, Wojciech P. Oziminski, Patrick Bultinck

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 526 KB

english, 2012

95

The in vivo contribution of hematopoietic cells to systemic TNF and IL-6 production during endotoxemia

Jennyfer Bultinck, Peter Brouckaert, Anje Cauwels

Journal:

Year:

2006

Language:

english

File:

PDF, 247 KB

english, 2006

96

O01. High-output systemic NO production during (septic) shock depends on parenchymal cells and is not sufficient to cause shock and lethality

Jennyfer Bultinck, Renske De Zwaef, Peter Brouckaert, Anje Cauwels

Journal:

Year:

2006

Language:

english

File:

PDF, 61 KB

english, 2006

97

Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices

Helen van Aggelen, Brecht Verstichel, Guillaume Acke, Matthias Degroote, Patrick Bultinck, Paul W. Ayers, Dimitri Van Neck

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 925 KB

english, 2013

98

Heterotrimetallic compounds containing Mo–M–Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings

Deb, Dibakar, Duley, Soma, Radenković, Slavko, Bultinck, Patrick, Chattaraj, Pratim K., Bhattacharjee, Manish

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 11.49 MB

english, 2012

99

Aromaticity and Homoaromaticity in Methano[10]annulenes

Caramori, Giovanni F., de Oliveira, Kleber T., Galembeck, Sérgio E., Bultinck, Patrick, Constantino, Mauricio G.

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 292 KB

english, 2007

100

Electron Delocalization and Aromaticity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index

Bultinck, Patrick, Rafat, Michel, Ponec, Robert, Van Gheluwe, Bart, Carbó-Dorca, Ramon, Popelier, Paul

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 89 KB

english, 2006