Density functional methods in chemistry JK Labanowski, JW Andzelm Springer Science & Business Media, 2012 | 1428 | 2012 |
Simple spin correction of unrestricted density-functional calculation AA Ovchinnikov, JK Labanowski Physical Review A 53 (6), 3946, 1996 | 119 | 1996 |
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 | 83 | 1986 |
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 | 71 | 1996 |
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 | 71 | 1992 |
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 | 63 | 1986 |
The physical meaning of topological indices JK Labanowski, I Motoc, RA Dammkoehler Computers & chemistry 15 (1), 47-53, 1991 | 55 | 1991 |
Modeling of the electrostatic potential field of plastocyanin SR Durell, JK Labanowski, EL Gross Archives of biochemistry and biophysics 277 (2), 241-254, 1990 | 47 | 1990 |
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 | 46 | 1992 |
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 | 39 | 1990 |
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 | 37 | 2003 |
Nano and Giga Challenges in Microelectronics AL Shluger, AS Foster, JL Gavartin, PV Sushko, J Greer, A Korkin, ... Greer, J, 151, 2003 | 37 | 2003 |
Density Functional Methods in Chemistry JW Mintmire, J Labanowski, J Andzelm Springer-Verlag, New York, 1991 | 36 | 1991 |
Nano and giga challenges in microelectronics J Greer, A Korkin, J Labanowski Elsevier, 2003 | 34 | 2003 |
Nanotechnology for electronic materials and devices A Korkin, E Gusev, JK Labanowski, S Luryi Springer Science & Business Media, 2010 | 30 | 2010 |
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 | 27 | 1992 |
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 | 24 | 1998 |
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 | 24 | 1995 |
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 | 24 | 1992 |
Thermochemical stability of the HO2–HClO4 complex AF Jalbout, M Solimannaejad, JK Labanowski Chemical physics letters 379 (5-6), 503-506, 2003 | 21 | 2003 |