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Jan Labanowski
Jan Labanowski
retired
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Density functional methods in chemistry
JK Labanowski, JW Andzelm
Springer Science & Business Media, 2012
14282012
Simple spin correction of unrestricted density-functional calculation
AA Ovchinnikov, JK Labanowski
Physical Review A 53 (6), 3946, 1996
1191996
Three‐dimensional quantitative structure‐activity relationships I. General approach to the pharmacophore model validation
I Motoc, RA Dammkoehler, D Mayer, J Labanowski
Quantitative Structure‐Activity Relationships 5 (3), 99-105, 1986
831986
Binding of fibrin monomer and heparin to thrombin in a ternary complex alters the environment of the thrombin catalytic site, reduces affinity for hirudin, and inhibits …
PJ Hogg, CM Jackson, JK Labanowski, PE Bock
Journal of Biological Chemistry 271 (42), 26088-26095, 1996
711996
Heats of formation of organic molecules. 2. The basis for calculations using either ab initio or molecular mechanics methods. Alcohols and ethers
NL Allinger, LR Schmitz, I Motoc, C Bender, JK Labanowski
Journal of the American Chemical Society 114 (8), 2880-2883, 1992
711992
Three‐Dimensional Quantitative Structure‐Activity Relationships. 2. Conformational Mimicry and Topographical Similarity of Flexible Molecules
J Labanowski, I Motoc, CB Naylor, D Mayer, RA Dammkoehler
Quantitative Structure‐Activity Relationships 5 (4), 138-152, 1986
631986
The physical meaning of topological indices
JK Labanowski, I Motoc, RA Dammkoehler
Computers & chemistry 15 (1), 47-53, 1991
551991
Modeling of the electrostatic potential field of plastocyanin
SR Durell, JK Labanowski, EL Gross
Archives of biochemistry and biophysics 277 (2), 241-254, 1990
471990
Cyclic growth and activity of pancreatic enzymes in alevins of Arctic charr (Salvelinus alpinus L.)
K Dabrowski, G Krumschnabel, M Paukku, J Labanowski
Journal of Fish Biology 40 (4), 511-521, 1992
461992
Heats of formation of organic molecules by ab initio calculations. 1. Aliphatic amines
NL Allinger, LR Schmitz, I Motoc, C Bender, JK Labanowski
Journal of Physical Organic Chemistry 3 (11), 732-736, 1990
391990
SAGE MD: molecular-dynamic software package to study properties of materials with different models for interatomic interactions
AA Selezenev, AY Aleynikov, NS Gantchuk, PV Yermakov, ...
Computational materials science 28 (2), 107-124, 2003
372003
Nano and Giga Challenges in Microelectronics
AL Shluger, AS Foster, JL Gavartin, PV Sushko, J Greer, A Korkin, ...
Greer, J, 151, 2003
372003
Density Functional Methods in Chemistry
JW Mintmire, J Labanowski, J Andzelm
Springer-Verlag, New York, 1991
361991
Nano and giga challenges in microelectronics
J Greer, A Korkin, J Labanowski
Elsevier, 2003
342003
Nanotechnology for electronic materials and devices
A Korkin, E Gusev, JK Labanowski, S Luryi
Springer Science & Business Media, 2010
302010
Heats of formation of organic molecules by Ab Initio calculations: Carboxylic acids and esters
NL Allinger, LR Schmitz, I Motoc, C Bender, JK Labanowski
Journal of computational chemistry 13 (7), 838-841, 1992
271992
Heats of formation of organic molecules calculated by density functional theory: II. Alkanes
J Labanowski, L Schmitz, KH Chen, NL Allinger
Journal of computational chemistry 19 (12), 1421-1430, 1998
241998
Heats of formation of alkanes calculated by density functional theory
NL Allinger, K Sakakibara, J Labanowski
The Journal of Physical Chemistry 99 (23), 9603-9610, 1995
241995
Heats of formation of organic molecules by ab initio calculations. Aldehydes and ketones
LR Schmitz, I Motoc, C Bender, JK Labanowski, NL Allinger
Journal of physical organic chemistry 5 (5), 225-229, 1992
241992
Thermochemical stability of the HO2–HClO4 complex
AF Jalbout, M Solimannaejad, JK Labanowski
Chemical physics letters 379 (5-6), 503-506, 2003
212003
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