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1

Elongation method at restricted open-shell Hartree–Fock level of theory

Jacek Korchowiec, Feng Long Gu, Yuriko Aoki

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 138 KB

english, 2005

2

Group electronegativity and Fukui function studies of the substituent effects in aromatic and inorganic systems

J. Korchowiec, R. F. Nalewajski

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 736 KB

english, 1992

3

Nucleophilic properties of purine bases: inherent reactivity versus reaction conditions

Stachowicz-Kuśnierz, Anna, Korchowiec, Jacek

Journal:

Structural Chemistry

Year:

2016

Language:

english

File:

PDF, 1.31 MB

english, 2016

4

Molecular hardness and softness parameters and their use in chemistry

Roman F. Nalewajski, Jacek Korchowiec, Zhongxiang Zhou

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 859 KB

english, 1988

5

Mixed DPPC/POPC Monolayers: All-atom Molecular Dynamics Simulations and Langmuir Monolayer Experiments

Olżyńska, Agnieszka, Zubek, Michal, Roeselova, Martina, Korchowiec, Jacek, Cwiklik, Lukasz

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2016

Language:

english

File:

PDF, 2.22 MB

english, 2016

6

The effect of the peptide based gemini amphiphiles protonation on the interaction in Langmuir films

Korchowiec, Beata, Gorczyca, Marcelina, Korchowiec, Jacek, Rubio-Magnieto, Jenifer, Lotfallah, Ahmed H., Luis, Santiago V., Rogalska, Ewa

Journal:

Journal of Molecular Liquids

Year:

2019

Language:

english

File:

PDF, 1.56 MB

english, 2019

7

Extracting Information about Chemical Bonding from Molecular Electron Densities via Single Exponential Decay Detector (SEDD)

de Silva, Piotr, Korchowiec, Jacek, Ram J. S., Nirmal, Wesolowski, Tomasz A.

Journal:

CHIMIA International Journal for Chemistry

Year:

2013

Language:

english

File:

PDF, 229 KB

english, 2013

8

Relaxed Fukui function indices and their application to chemical reactivity problems

J. Korchowiec, H. Gerwens, K. Jug

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 516 KB

english, 1994

9

Surface mixed films of cationic surfactants at aqueous solution/air interface

Maria Paluch, Beata Korchowiec

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Year:

1994

Language:

english

File:

PDF, 500 KB

english, 1994

10

Equalization equations in reactant resolution

Jacek Korchowiec

Journal:

Journal of Chemical Sciences

Year:

2005

Language:

english

File:

PDF, 50 KB

english, 2005

11

The influence of external potential perturbation and cluster reduction on catalytic activity of vanadium pentoxide

Jacek Korchowiec, Joanna Banaś, Mieczysława Najbar

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 190 KB

english, 2003

12

Thermodynamic and spectroscopic properties of mixtures ofβ-lactoglobulin and dioleylphosphatidylcholine

B. Korchowiec, M. Puggelli, G. Gabrielli, M. Nocentini, C. Focardi

Journal:

Colloid & Polymer Science

Year:

1997

Language:

english

File:

PDF, 597 KB

english, 1997

13

Action of electrophiles on 2-aminopyridines: A charge sensitivity and electrostatic potential study

Piotr Kowalski, Jacek Korchowiec

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 855 KB

english, 1993

14

Enzymatic Probing of Model Lipid Membranes: Phospholipase A2 Activity toward Monolayers Modified by Oxicam NSAIDs

Czapla, Katarzyna, Korchowiec, Beata, Orlof, Monika, Magnieto, Jenifer Rubio, Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.10 MB

english, 2011

15

The role of DPPG in lung surfactant exposed to benzo[ a ]pyrene

Korchowiec, Beata, Stachowicz-Kuśnierz, Anna, Korchowiec, Jacek

Journal:

Environmental Science: Processes & Impacts

Year:

2019

File:

PDF, 1.99 MB

2019

16

Glycolipid–cholesterol monolayers: Towards a better understanding of the interaction between the membrane components

Beata Korchowiec, Jacek Korchowiec, Masakatsu Hato, Ewa Rogalska

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2011

Language:

english

File:

PDF, 3.36 MB

english, 2011

17

Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective

Anna Stachowicz, Marek Rogalski, Jacek Korchowiec

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 855 KB

english, 2013

18

Differentiating Oxicam Nonsteroidal Anti-Inflammatory Drugs in Phosphoglyceride Monolayers

Czapla, Katarzyna, Korchowiec, Beata, Rogalska, Ewa

Journal:

Year:

2010

Language:

english

File:

PDF, 3.00 MB

english, 2010

19

The selective interactions of cationic tetra-p-guanidinoethylcalix[4]arene with lipid membranes: theoretical and experimental model studies

Korchowiec, Beata, Gorczyca, Marcelina, Rogalska, Ewa, Regnouf-de-Vains, Jean-Bernard, Mourer, Maxime, Korchowiec, Jacek

Journal:

Year:

2015

Language:

english

File:

PDF, 4.00 MB

english, 2015

20

Intermediate hardness decoupling schemes for chemical reactivity

R. F. Nalewajski, J. Korchowiec, A. Michalak

Journal:

Journal of Chemical Sciences

Year:

1994

Language:

english

File:

PDF, 1.41 MB

english, 1994

21

The impact of lipid oxidation on the functioning of a lung surfactant model

Stachowicz-Kuśnierz, A., Cwiklik, L., Korchowiec, J., Rogalska, E., Korchowiec, B.

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018

22

Impact of two different saponins on the organization of model lipid membranes

Korchowiec, Beata, Gorczyca, Marcelina, Wojszko, Kamila, Janikowska, Maria, Henry, Max, Rogalska, Ewa

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2015

Language:

english

File:

PDF, 2.25 MB

english, 2015

23

Impact of Doxorubicin on Self-Organization of Congo Red: Quantum Chemical Calculations and Molecular Dynamics Simulations

KwieciÅska, Klaudia, Stachowicz-KuÅnierz, Anna, Jagusiak, Anna, Roterman, Irena, Korchowiec, Jacek

Journal:

Year:

2020

File:

PDF, 3.00 MB

2020

24

Charge sensitivity analysis of oxide catalysts: V2O5 clusters and (n-V2O5)H(in2) systems

R.F. Nalewajski, J. Korchowiec, R. Tokarz, E. Brocławik, M. Witko

Journal:

Journal of Molecular Catalysis

Year:

1992

Language:

english

File:

PDF, 1005 KB

english, 1992

25

Importance of secondary electrostatic interactions in hydrogen-bonding complexes: an investigation using the self-consistent charge and configuration method for subsystems

Tadafumi Uchimaru, Jacek Korchowiec, Seiji Tsuzuki, Kazunari Matsumura, Shun-ichi Kawahara

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 261 KB

english, 2000

26

Application of the elongation method to the electronic structure of spin-polarized molecular wire under electric field

Yuuichi Orimoto, Feng Long Gu, Jacek Korchowiec, Akira Imamura, Yuriko Aoki

Journal:

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

Year:

2010

Language:

english

File:

PDF, 558 KB

english, 2010

27

Mechanism of Addition of Fluoromethyl Radicals to Fluoroethylenes

Korchowiec, Jacek, Uchimaru, Tadafumi

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 94 KB

english, 1998

28

Elongation method for linear scaling SCF calculations of polymers

Korchowiec, Jacek, Gu, Feng Long, Aoki, Yuriko

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2006

File:

PDF, 104 KB

2006

29

Interaction of amphiphilic chlorin-based photosensitizers with 1,2-dipalmitoyl-sn-glycero-3-phosphocholine monolayers

Julien Gravier, Beata Korchowiec, Raphaël Schneider, Ewa Rogalska

Journal:

Chemistry and Physics of Lipids

Year:

2009

Language:

english

File:

PDF, 1.25 MB

english, 2009

30

Recognition of the electrophilic and nucleophilic centers in molecules via the radical charge transfer Fukui function

Jacek Korchowiec

Journal:

Computers & Chemistry

Year:

2000

Language:

english

File:

PDF, 81 KB

english, 2000

31

Role of charge-transfer effects in regioselectivity

Jacek Korchowiec

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 128 KB

english, 2005

32

Elongation cutoff technique at Kohn–Sham level of theory

Jacek Korchowiec, Piotr de Silva, Marcin Makowski, Feng Long Gu, Yuriko Aoki

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 774 KB

english, 2010

33

New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems: Application to water dimer system

Korchowiec, Jacek, Uchimaru, Tadafumi

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 371 KB

english, 2000

34

Charge response study of the toluene-[V2O5] chemisorption clusters: Two reactant approach

Roman F. Nalewajski, J. Korchowiec

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

1996

Language:

english

File:

PDF, 2.58 MB

english, 1996

35

Atomic shell structure from the Single-Exponential Decay Detector

de Silva, Piotr, Korchowiec, Jacek, Wesolowski, Tomasz A.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 586 KB

english, 2014

36

Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems

Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 687 KB

english, 2006

37

Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function

Piotr de Silva, Prof. Jacek Korchowiec, Prof. Tomasz A. Wesolowski

Journal:

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

38

Complexation of Metal Ions in Langmuir Films Formed with Two Amphiphilic Dioxadithia Crown Ethers

Corvis, Yohann, Korchowiec, Beata, Korchowiec, Jacek, Badis, Mounia, Mironiuk-Puchalska, Ewa, Fokt, Izabela, Priebe, Waldemar, Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.75 MB

english, 2008

39

Intermediate electrostatic field for the elongation method

Kuźniarowicz, Piotr, Liu, Kai, Aoki, Yuriko, Gu, Feng Long, Stachowicz, Anna, Korchowiec, Jacek

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 414 KB

english, 2014

40

Modeling Lung Surfactant Interactions with Benzo[a]pyrene

Stachowicz-Kuśnierz, Anna, Trojan, Sonia, Cwiklik, Lukasz, Korchowiec, Beata, Korchowiec, Jacek

Journal:

Chemistry - A European Journal

Year:

2017

Language:

english

File:

PDF, 1.83 MB

english, 2017

41

Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers

Mashkovtsev, Denis, Mizukami, Wataru, Korchowiec, Jacek, StachowiczâKuÅnierz, Anna, Aoki, Yuriko

Journal:

Journal of Computational Chemistry

Year:

2020

File:

PDF, 2.20 MB

2020

42

Charge sensitivity analysis of oxide catalysts: Oxidation-state dependence of the normal-mode description of V2O5 surface clusters

Roman F. Nalewajski, Jacek Korchowiec

Journal:

Journal of Molecular Catalysis

Year:

1993

Language:

english

File:

PDF, 1.33 MB

english, 1993

43

Geometry optimization for large systems by the elongation method

Liu, Kai, Inerbaev, Talgat, Korchowiec, Jacek, Gu, Feng Long, Aoki, Yuriko

Journal:

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

Year:

2012

Language:

english

File:

PDF, 282 KB

english, 2012

44

Intermediate Electrostatic Field for the Generalized Elongation Method

Liu, Kai, Korchowiec, Jacek, Aoki, Yuriko

Journal:

Year:

2015

Language:

english

File:

PDF, 982 KB

english, 2015

45

Nanoscale investigation of the interaction of colistin with model phospholipid membranes by Langmuir technique, and combined infrared and force spectroscopies

Freudenthal, Oona, Quilès, Fabienne, Francius, Grégory, Wojszko, Kamila, Gorczyca, Marcelina, Korchowiec, Beata, Rogalska, Ewa

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2016

Language:

english

File:

PDF, 1.76 MB

english, 2016

46

Basic concepts and illustrative applications of the sensitivity analysis of molecular charge distribution

Roman F. Nalewajski, Jacek Korchowiec

Journal:

Journal of Molecular Catalysis

Year:

1989

Language:

english

File:

PDF, 1.40 MB

english, 1989

47

Influence of some aqueous subsolutions on behaviour of stearic acid monolayers

Beata Korchowiec, Maria Paluch

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Year:

1995

Language:

english

File:

PDF, 425 KB

english, 1995

48

ChemInform Abstract: Application of Explicitly Localized Molecular Orbitals to Electronic Structure Calculations

Piotr de Silva, Marcin Makowski, Jacek Korchowiec

Journal:

Year:

2012

File:

PDF, 19 KB

2012

49

Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds

Stachowicz, Anna, Korchowiec, Jacek

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

50

Interfacial Approach to Polyaromatic Hydrocarbon Toxicity: Phosphoglyceride and Cholesterol Monolayer Response to Phenantrene, Anthracene, Pyrene, Chrysene, and Benzo[a]pyrene

Korchowiec, Beata, Corvis, Yohann, Viitala, Tapani, Feidt, Cyril, Guiavarch, Yann, Corbier, Catherine, Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 4.61 MB

english, 2008

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