| Year |
Citation |
Score |
| 2022 |
Sun B, Oakley MS, Yoshida K, Yang Y, Tommasini M, Zanchi C, Lucotti A, Ferguson MJ, Hampel F, Klobukowski M, Tykwinski RR. The effects of ring strain on cyclic tetraaryl[5]cumulenes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35476301 DOI: 10.1002/chem.202200616 |
0.539 |
|
| 2019 |
Karmakar A, Dodd MS, Zhang X, Oakley MS, Klobukowski M, Michaelis VK. Mechanochemical synthesis of 0D and 3D cesium lead mixed halide perovskites. Chemical Communications (Cambridge, England). PMID 30969291 DOI: 10.1039/C8Cc09622H |
0.582 |
|
| 2018 |
Oakley MS, Bao JJ, Klobukowski M, Truhlar DG, Gagliardi L. Multireference Methods for Calculating the Dissociation Enthalpy of Tetrahedral P to Two P. The Journal of Physical Chemistry. A. PMID 29870248 DOI: 10.1021/Acs.Jpca.7B12366 |
0.677 |
|
| 2018 |
Oakley MS, Klobukowski M. ΔDFT/MIX: A reliable and efficient method for calculating core electron binding energies of large molecules Journal of Electron Spectroscopy and Related Phenomena. 227: 44-50. DOI: 10.1016/J.Elspec.2018.07.004 |
0.664 |
|
| 2017 |
Ayoub AT, Staelens M, Prunotto A, Deriu MA, Danani A, Klobukowski M, Tuszynski JA. Explaining the Microtubule Energy Balance: Contributions Due to Dipole Moments, Charges, van der Waals and Solvation Energy. International Journal of Molecular Sciences. 18. PMID 28937650 DOI: 10.3390/Ijms18102042 |
0.344 |
|
| 2017 |
Lui MW, Shynkaruk O, Oakley MS, Sinelnikov R, McDonald R, Ferguson MJ, Meldrum A, Klobukowski M, Rivard E. Engaging dual donor sites within an N-heterocyclic olefin phosphine ligand. Dalton Transactions (Cambridge, England : 2003). PMID 28418418 DOI: 10.1039/C7Dt00398F |
0.582 |
|
| 2017 |
Oakley M, Klobukowski M. Computing UV–vis spectra of 1-bromo-1-propene: a comparison of model core potential and all-electron basis sets Canadian Journal of Chemistry. 95: 627-631. DOI: 10.1139/Cjc-2016-0518 |
0.671 |
|
| 2015 |
Churchill CD, Klobukowski M, Tuszynski JA. Analysis of the binding mode of laulimalide to microtubules: Establishing a laulimalide-tubulin pharmacophore. Journal of Biomolecular Structure & Dynamics. 1-35. PMID 26230757 DOI: 10.1080/07391102.2015.1078115 |
0.315 |
|
| 2015 |
Ayoub AT, Klobukowski M, Tuszynski JA. Detailed Per-residue Energetic Analysis Explains the Driving Force for Microtubule Disassembly. Plos Computational Biology. 11: e1004313. PMID 26030285 DOI: 10.1371/Journal.Pcbi.1004313 |
0.32 |
|
| 2015 |
Lovallo CC, Klobukowski M. Comparison of xenon and radon metal halides Chemical Physics Letters. 638: 249-252. DOI: 10.1016/J.Cplett.2015.08.064 |
0.793 |
|
| 2014 |
Tuszynski JA, Winter P, White D, Tseng CY, Sahu KK, Gentile F, Spasevska I, Omar SI, Nayebi N, Churchill CD, Klobukowski M, El-Magd RM. Mathematical and computational modeling in biology at multiple scales. Theoretical Biology & Medical Modelling. 11: 52. PMID 25542608 DOI: 10.1186/1742-4682-11-52 |
0.311 |
|
| 2014 |
Ayoub AT, Craddock TJ, Klobukowski M, Tuszynski J. Analysis of the strength of interfacial hydrogen bonds between tubulin dimers using quantum theory of atoms in molecules. Biophysical Journal. 107: 740-50. PMID 25099813 DOI: 10.1016/J.Bpj.2014.05.047 |
0.345 |
|
| 2014 |
Fitzsimmons A, Klobukowski M. Anharmonic effects in the vibrational spectra of radon-containing small molecules Chemical Physics Letters. 612: 73-77. DOI: 10.1016/J.Cplett.2014.07.069 |
0.318 |
|
| 2014 |
Ayoub AT, Tuszynski J, Klobukowski M. Estimating hydrogen bond energies: comparison of methods Theoretical Chemistry Accounts. 133: 1-7. DOI: 10.1007/S00214-014-1520-7 |
0.379 |
|
| 2013 |
Fitzsimmons A, Klobukowski M. Structure and stability of organic molecules containing heavy rare gas atoms Theoretical Chemistry Accounts. 132: 1-10. DOI: 10.1007/S00214-012-1314-8 |
0.364 |
|
| 2012 |
Mori H, Zeng T, Klobukowski M. Assessment of chemical core potentials for the computation on enthalpies of formation of transition-metal complexes Chemical Physics Letters. 521: 150-156. DOI: 10.1016/J.Cplett.2011.11.044 |
0.427 |
|
| 2012 |
Barysz M, Klobukowski M, Leszczynski J. Relativistic study of tautomerism and core electron binding energies of thio-and selenocytosine Structural Chemistry. 23: 1293-1299. DOI: 10.1007/S11224-012-0049-4 |
0.416 |
|
| 2011 |
Kelly EB, Tuszynski JA, Klobukowski M. QM and QM/MD simulations of the Vinca alkaloids docked to tubulin. Journal of Molecular Graphics & Modelling. 30: 54-66. PMID 21798777 DOI: 10.1016/J.Jmgm.2011.06.005 |
0.308 |
|
| 2011 |
Shim J, Klobukowski M, Barysz M, Leszczynski J. Calibration and applications of the ΔMP2 method for calculating core electron binding energies. Physical Chemistry Chemical Physics : Pccp. 13: 5703-11. PMID 21311785 DOI: 10.1039/C0Cp01591A |
0.433 |
|
| 2011 |
Zeng T, Fedorov DG, Klobukowski M. Performance of dynamically weighted multiconfiguration self-consistent field and spin-orbit coupling calculations of diatomic molecules of Group 14 elements. The Journal of Chemical Physics. 134: 024108. PMID 21241081 DOI: 10.1063/1.3529840 |
0.379 |
|
| 2010 |
Zeng T, Fedorov DG, Klobukowski M. Model core potentials of p-block elements generated considering the Douglas-Kroll relativistic effects, suitable for accurate spin-orbit coupling calculations. The Journal of Chemical Physics. 133: 114107. PMID 20866126 DOI: 10.1063/1.3478530 |
0.458 |
|
| 2010 |
Fitzsimmons A, Mori H, Miyoshi E, Klobukowski M. Model core potential and all-electron studies of molecules containing rare gas atoms. The Journal of Physical Chemistry. A. 114: 8786-92. PMID 20524677 DOI: 10.1021/Jp101765M |
0.495 |
|
| 2010 |
Zeng T, Fedorov DG, Klobukowski M. Multireference study of spin-orbit coupling in the hydrides of the 6p-block elements using the model core potential method. The Journal of Chemical Physics. 132: 074102. PMID 20170210 DOI: 10.1063/1.3297887 |
0.389 |
|
| 2010 |
Mane JY, Klobukowski M. New parameterization of the PM3 method for monosaccharides Chemical Physics Letters. 500: 140-143. DOI: 10.1016/J.Cplett.2010.09.069 |
0.312 |
|
| 2009 |
Zeng T, Fedorov DG, Klobukowski M. Model core potentials for studies of scalar-relativistic effects and spin-orbit coupling at Douglas-Kroll level. I. Theory and applications to Pb and Bi. The Journal of Chemical Physics. 131: 124109. PMID 19791854 DOI: 10.1063/1.3211955 |
0.392 |
|
| 2009 |
Zeng T, Klobukowski M. New model core potentials for gold. The Journal of Chemical Physics. 130: 204107. PMID 19485437 DOI: 10.1063/1.3142102 |
0.392 |
|
| 2009 |
Mori H, Ueno-Noto K, Osanai Y, Noro T, Fujiwara T, Klobukowski M, Miyoshi E. Revised model core potentials for third-row transition-metal atoms from Lu to Hg Chemical Physics Letters. 476: 317-322. DOI: 10.1016/J.Cplett.2009.06.019 |
0.437 |
|
| 2009 |
Zeng T, Mori H, Miyoshi E, Klobukowski M. Calibration of new model core potentials for main group elements International Journal of Quantum Chemistry. 109: 3235-3245. DOI: 10.1002/Qua.22120 |
0.341 |
|
| 2008 |
Zeng T, Klobukowski M. Relativistic model core potential study of the Au+ Xe system. The Journal of Physical Chemistry. A. 112: 5236-42. PMID 18491884 DOI: 10.1021/Jp8012656 |
0.438 |
|
| 2008 |
Gajewski M, Tuszynski J, Mori H, Miyoshi E, Klobukowski M. DFT studies of the electronic structure and geometry of 18-crown-6, hexaaza[18]annulene, and their complexes with cations of the heavier alkali and alkaline earth metals Inorganica Chimica Acta. 361: 2166-2171. DOI: 10.1016/J.Ica.2007.10.033 |
0.39 |
|
| 2008 |
Osanai Y, Soejima E, Noro T, Mori H, Mon MS, Klobukowski M, Miyoshi E. Revised model core potentials for second-row transition metal atoms from Y to Cd Chemical Physics Letters. 463: 230-234. DOI: 10.1016/J.Cplett.2008.07.091 |
0.453 |
|
| 2008 |
Osanai Y, Mon MS, Noro T, Mori H, Nakashima H, Klobukowski M, Miyoshi E. Revised model core potentials for first-row transition-metal atoms from Sc to Zn Chemical Physics Letters. 452: 210-214. DOI: 10.1016/j.cplett.2007.12.019 |
0.372 |
|
| 2007 |
Anjima H, Tsukamoto S, Mori H, Mine M, Klobukowski M, Miyoshi E. Revised model core potentials of s-block elements. Journal of Computational Chemistry. 28: 2424-30. PMID 17708534 DOI: 10.1002/Jcc.20612 |
0.411 |
|
| 2007 |
Lo JMH, Klobukowski M. Relativistic calculations on the ground and excited states of AgH and AuH in cylindrical harmonic confinement Theoretical Chemistry Accounts. 118: 607-622. DOI: 10.1007/S00214-007-0349-8 |
0.377 |
|
| 2007 |
Zeng T, Jamshidi Z, Mori H, Miyoshi E, Klobukowski M. Electron affinities of heavier phosphoryl and thiophosphoryl halides APX3 (A = O, S and X = Br, I) Journal of Computational Chemistry. 28: 2027-2033. DOI: 10.1002/Jcc.20726 |
0.433 |
|
| 2006 |
Lo JMH, Klobukowski M, Bielińska-Wa̧ D, Schreiner EWS, Diercksen GHF. Structure and spectra of a confined HeH molecule Journal of Physics B: Atomic, Molecular and Optical Physics. 39: 2385-2402. DOI: 10.1088/0953-4075/39/11/006 |
0.421 |
|
| 2006 |
Bielińska-Wa ̧z D, Lo JMH, Klobukowski M, Schreiner EWS, Diercksen GHF. Perturbation theory of the spatial confinement effects in the Rydberg HeH molecule Chemical Physics Letters. 422: 391-396. DOI: 10.1016/J.Cplett.2006.02.053 |
0.387 |
|
| 2006 |
Lo JMH, Klobukowski M. Computational studies of one-electron properties of lithium hydride in confinement Chemical Physics. 328: 132-138. DOI: 10.1016/J.Chemphys.2006.06.019 |
0.387 |
|
| 2005 |
Miyoshi E, Mori H, Hirayama R, Osanai Y, Noro T, Honda H, Klobukowski M. Compact and efficient basis sets of s- and p-block elements for model core potential method. The Journal of Chemical Physics. 122: 074104. PMID 15743218 DOI: 10.1063/1.1845392 |
0.458 |
|
| 2005 |
Lo JMH, Klobukowski M, Bielińska-Wa̧z D, Diercksen GHF, Schreiner EWS. Effects of confinement on the Rydberg molecule NeH Journal of Physics B: Atomic, Molecular and Optical Physics. 38: 1143-1159. DOI: 10.1088/0953-4075/38/8/006 |
0.4 |
|
| 2005 |
Lo JMH, Klobukowski M. Configuration interaction calculations on beryllium molecular ion in cylindrical harmonic confining potential Molecular Physics. 103: 2599-2612. DOI: 10.1080/00268970500201786 |
0.414 |
|
| 2005 |
Lo JMH, Klobukowski M, Diercksen GHF. Low-Lying Excited States of the Hydrogen Molecule in Cylindrical Harmonic Confinement Advances in Quantum Chemistry. 48: 6. DOI: 10.1016/S0065-3276(05)48006-5 |
0.349 |
|
| 2004 |
Lovallo CC, Klobukowski M. Accurate ab initio pair potentials between helium and the heavier group 2 elements. The Journal of Chemical Physics. 120: 246-52. PMID 15267284 DOI: 10.1063/1.1630015 |
0.792 |
|
| 2004 |
Lovallo CC, Klobukowski M. Improved model core potentials for the second- and third-row transition metals. Journal of Computational Chemistry. 25: 1206-13. PMID 15116363 DOI: 10.1002/Jcc.20044 |
0.774 |
|
| 2004 |
Lo JMH, Klobukowski M. MCQDPT studies of beryllium molecule in cylindrical harmonic confining potential Molecular Physics. 102: 2511-2519. DOI: 10.1080/0026897042000275071 |
0.39 |
|
| 2004 |
Mane JY, Klobukowski M. The well-tempered model core potentials for the main-group elements Li-Rn Theoretical Chemistry Accounts. 112: 33-39. DOI: 10.1007/S00214-003-0563-Y |
0.432 |
|
| 2003 |
Lovallo CC, Klobukowski M. Development of new pseudopotential methods: improved model core potentials for the first-row transition metals. Journal of Computational Chemistry. 24: 1009-15. PMID 12759901 DOI: 10.1002/Jcc.10251 |
0.79 |
|
| 2003 |
Lo JMH, Klobukowski M. DFT studies of structures and enatiomerization mechanisms of bis-chelate complexes of Group 12 elements Inorganica Chimica Acta. 353: 15-21. DOI: 10.1016/S0020-1693(03)00217-2 |
0.343 |
|
| 2003 |
Lovallo CC, Klobukowski M. Transition metal-noble gas bonding: The next frontier Chemical Physics Letters. 368: 589-593. DOI: 10.1016/S0009-2614(02)01913-9 |
0.789 |
|
| 2002 |
Fedorov DG, Klobukowski M. Spin-orbit coupling with model core potentials Chemical Physics Letters. 360: 223-228. DOI: 10.1016/S0009-2614(02)00837-0 |
0.336 |
|
| 2002 |
Lovallo CC, Klobukowski M. Improved model core potentials: Application to the thermochemistry of organoxenon complexes International Journal of Quantum Chemistry. 90: 1099-1107. DOI: 10.1002/Qua.10256 |
0.774 |
|
| 2001 |
Decker SA, Klobukowski M. Benchmarking of model core potentials: application to the halogen complexes of group 4 metals. Journal of Chemical Information and Computer Sciences. 41: 1-7. PMID 11206360 DOI: 10.1021/Ci0000474 |
0.755 |
|
| 2001 |
Decker SA, Klobukowski M. Benchmarking of Model Core Potentials: Application to the Halogen Complexes of Group 4 Metals Journal of Chemical Information and Computer Sciences. 41: 1-7. DOI: 10.1021/ci0000474 |
0.741 |
|
| 2001 |
Mane JY, Klobukowski M. Well-tempered model core potentials for groups 17 and 18 Journal of Molecular Structure: Theochem. 547: 163-170. DOI: 10.1016/S0166-1280(01)00468-7 |
0.408 |
|
| 2001 |
Klobukowski M, Decker SA, Lovallo CC, Cavell RG. Structure and bonding in an octahedral Li4C2 cluster, the dilithium bis {dihydrido(silylimino)phosphorano} methanide dimer. A combined DFT - AIM analysis Journal of Molecular Structure: Theochem. 536: 189-194. DOI: 10.1016/S0166-1280(00)00626-6 |
0.769 |
|
| 2001 |
Bielińska-Wa̧z D, Diercksen GHF, Klobukowski M. Quantum chemistry of confined systems: Structure and vibronic spectra of a confined hydrogen molecule Chemical Physics Letters. 349: 215-219. DOI: 10.1016/S0009-2614(01)01226-X |
0.362 |
|
| 1999 |
Decker SA, Klobukowski M. The energy barrier for CO migration in Mn2(CO)6(H2PCH2PH2)2: A PM3(tm) study Canadian Journal of Chemistry. 77: 65-73. DOI: 10.1139/V98-218 |
0.719 |
|
| 1999 |
Kamalesh Babu RP, McDonald R, Decker SA, Klobukowski M, Cavel RG. New zirconium hydrocarbyl bis(phosphoranimino) "pincer" carbene complexes Organometallics. 18: 4226-4229. |
0.671 |
|
| 1998 |
Decker SA, Klobukowski M. The first carbonyl bond dissociation energies of M(CO)5 and M(CO)4(C2H2) (M = Fe, Ru, and Os): The role of the acetylene ligand from a density functional perspective Journal of the American Chemical Society. 120: 9342-9355. DOI: 10.1021/ja981197m |
0.701 |
|
| 1998 |
Decker SA, Klobukowski M, Sakai Y, Miyoshi E. Calibration and benchmarking of model core potentials: Applications to systems containing main-group elements Journal of Molecular Structure: Theochem. 451: 215-226. DOI: 10.1016/S0166-1280(98)00173-0 |
0.717 |
|
| 1997 |
Sakai Y, Miyoshi E, Klobukowski M, Huzinaga S. Model potentials for main group elements Li through Rn Journal of Chemical Physics. 106: 8084-8092. DOI: 10.1063/1.473816 |
0.435 |
|
| 1997 |
Decker SA, Donini O, Klobukowski M. A contribution to the understanding of carbonyl migration in Mn2(CO)10 via the pairwise exchange mechanism Journal of Physical Chemistry A. 101: 8734-8740. DOI: 10.1021/Jp972355J |
0.714 |
|
| 1997 |
Klobukowski M, Diercksen GHF, García de la Vega JM. Electron Affinity of SF6 Advances in Quantum Chemistry. 28: 189-203. DOI: 10.1016/S0065-3276(08)60215-4 |
0.35 |
|
| 1996 |
Krause D, Klobukowski M. On the performance of molecular model core potential orbitals in spin-orbit and electron correlation studies Canadian Journal of Chemistry. 74: 1248-1252. DOI: 10.1139/V96-140 |
0.384 |
|
| 1994 |
Klobukowski M. Systematic sequences of well-balanced Gaussian basis sets Canadian Journal of Chemistry. 72: 1741-1752. DOI: 10.1139/V94-220 |
0.373 |
|
| 1993 |
Klobukowski M. Ab initio SCF and Møller-Plesset studies on hexachlorides of selenium and tellurium and their dianions Canadian Journal of Chemistry. 71: 141-146. DOI: 10.1139/V93-020 |
0.39 |
|
| 1993 |
Klobukowski M. Comparison of generator formulas for exponential parameters of Gaussian basis sets Chemical Physics Letters. 214: 166-174. DOI: 10.1016/0009-2614(93)90076-D |
0.34 |
|
| 1993 |
Huzinaga S, Klobukowski M. Well-tempered Gaussian basis sets for the calculation of matrix Hartree-Fock wavefunctions Chemical Physics Letters. 212: 260-264. DOI: 10.1016/0009-2614(93)89323-A |
0.422 |
|
| 1993 |
Klobukowski M. Ab initio SCF and Møller—plesset studies on hexafluorides of selenium and tellurium Journal of Computational Chemistry. 14: 1234-1239. DOI: 10.1002/Jcc.540141012 |
0.437 |
|
| 1992 |
Klobukowski M. Computational studies on hydrates of alkaline-earth dications Canadian Journal of Chemistry. 70: 589-595. DOI: 10.1139/V92-082 |
0.349 |
|
| 1992 |
Klobukowski M. Comparison of the effective core potential and model potential methods in studies of electron correlation energy in molecules: Dihalides and halogen hydrides Theoretica Chimica Acta. 83: 239-248. DOI: 10.1007/Bf01132832 |
0.43 |
|
| 1991 |
Klobukowski M. Comparison of the effective-core-potential and model-potential methods in the studies on spin-orbit effects: zero-field splitting of the X 3Σ- state of pnicogen hydrides Chemical Physics Letters. 183: 417-422. DOI: 10.1016/0009-2614(91)90404-W |
0.338 |
|
| 1990 |
Klobukowski M. Atomic correlation energies from effective-core-potential and model-potential calculations Chemical Physics Letters. 172: 361-366. DOI: 10.1016/S0009-2614(90)87127-D |
0.453 |
|
| 1990 |
Klobukowski M, Dingle TW, Huzinaga S. Contracted well-tempered Gaussian basis sets in SCF calculations on the ground and excited electronic states of neutral and ionized diatomic molecules containing first-row atoms Theoretica Chimica Acta. 77: 191-205. DOI: 10.1007/Bf01114679 |
0.38 |
|
| 1989 |
Fraga S, Fabian ES, Sordo JA, Campillo M, Climenhaga JD, Klobukowski M. Atomic energy levels from configuration interaction calculations with relativistic corrections International Journal of Quantum Chemistry. 35: 325-330. DOI: 10.1002/Qua.560350209 |
0.633 |
|
| 1989 |
Dingle TW, Huzinaga S, Klobukowski M. Contraction of the well‐tempered Gaussian basis sets: The first‐row diatomic molecules Journal of Computational Chemistry. 10: 753-769. DOI: 10.1002/Jcc.540100602 |
0.397 |
|
| 1988 |
Klobukowski M, Fraga S. Accurate theoretical prediction of the experimental ground-state total atomic energies. Physical Review. a, General Physics. 38: 1593-1594. PMID 9900538 DOI: 10.1103/Physreva.38.1593 |
0.651 |
|
| 1988 |
Klobukowski M, Fraga S. Accurate theoretical prediction of the experimental ground-state total atomic energies Physical Review A. 38: 1593-1594. DOI: 10.1103/PhysRevA.38.1593 |
0.607 |
|
| 1988 |
Huzinaga S, Klobukowski M. Well-tempered gaussian basis set expansions of Roothaan-Hartree-Fock atomic wavefunctions for lithium through mercury Journal of Molecular Structure: Theochem. 167: 1-209. DOI: 10.1016/0166-1280(88)87042-8 |
0.371 |
|
| 1987 |
Klobukowski M, Barandiarán Z, Seijo L, Huzinaga S. Towards HF SCF value of electron affinity of SF6 The Journal of Chemical Physics. 86: 1637-1638. DOI: 10.1063/1.452205 |
0.39 |
|
| 1987 |
Fraga S, Klobukowski M, Muszynska J, Saxena KMS, Sordo JA, Climenhaga JD, Clark P. Research in atomic structure: A configuration interaction program with relativistic corrections Computer Physics Communications. 47: 159-172. DOI: 10.1016/0010-4655(87)90075-0 |
0.592 |
|
| 1987 |
Klobukowski M, Huzinaga S, Seijo L, Barandiarán Z. Ab initio SCF studies of the molecular structure of XeF6, IF6-, and TeF62- in non-octahedral geometries Theoretica Chimica Acta. 71: 237-245. DOI: 10.1007/Bf00526419 |
0.415 |
|
| 1987 |
Sakai Y, Miyoshi E, Klobukowski M, Huzinaga S. Model potentials for molecular calculations. II. The spd‐MP set for transition metal atoms Sc through Hg Journal of Computational Chemistry. 8: 256-264. DOI: 10.1002/Jcc.540080305 |
0.466 |
|
| 1987 |
Sakai Y, Miyoshi E, Klobukowski M, Huzinaga S. Model potentials for molecular calculations. I. The sd‐MP set for transition metal atoms Sc through Hg Journal of Computational Chemistry. 8: 226-255. DOI: 10.1002/jcc.540080304 |
0.388 |
|
| 1986 |
Fraga S, Klobukowski M, Muszynska J, Saxena KM, Sordo JA. Matrix elements of the Breit Hamiltonian. Physical Review. A. 34: 23-28. PMID 9897221 DOI: 10.1103/Physreva.34.23 |
0.569 |
|
| 1986 |
Huzinaga S, Seijo L, Barandiarán Z, Klobukowski M. The ab initio model potential method. Main group elements The Journal of Chemical Physics. 86: 2132-2145. DOI: 10.1063/1.452111 |
0.46 |
|
| 1986 |
Huzinaga S, Klobukowski M, Barandiarán Z, Seijo L. A systematic study of basis set effects inabinitioSCF calculations: Well‐tempered Gaussian‐type function basis set calculations on transition metal halides The Journal of Chemical Physics. 84: 6315-6327. DOI: 10.1063/1.450776 |
0.425 |
|
| 1986 |
Huzinaga S, Klobukowski M. The well-tempered GTF basis set and the ab initio molecular calculation Journal of Molecular Structure: Theochem. 135: 403-408. DOI: 10.1016/0166-1280(86)80072-0 |
0.419 |
|
| 1986 |
Seijo L, Klobukowski M, Mitchell BK, Fraga S. Recognition of amino acids in solution: The role of the hydrophobic forces Journal of Biological Physics. 14: 107-111. DOI: 10.1007/Bf01857735 |
0.541 |
|
| 1986 |
Boudreaux EA, Doussa SP, Klobukowski M. Nonempirical self‐consistent modified extended Huckel calculations on heavy‐metal systems. II. Electronic structure, bonding, and spectra of the binuclear Pt2(P2O5H2) 44− ion International Journal of Quantum Chemistry. 30: 239-252. DOI: 10.1002/Qua.560300723 |
0.345 |
|
| 1986 |
Barandiaran Z, Seijo L, Huzinaga S, Klobukowski M. Structure and properties of transition‐metal compounds. A systematic study of basis set effects in ab initioSCF calculations International Journal of Quantum Chemistry. 29: 1047-1058. DOI: 10.1002/Qua.560290504 |
0.424 |
|
| 1986 |
Huzinaga S, Klobukowski M, Barandiarán Z, Seijo L. A systematic study of basis set effects in ab initio SCF calculations: Well-tempered GTF basis set calculations on transition metal halides The Journal of Chemical Physics. 84: 6315-6327. |
0.331 |
|
| 1985 |
Sordo JA, Klobukowski M, Fraga S. A theoretical simulation of bulk water: the effect of the dispersion-energy contribution Canadian Journal of Physics. 63: 1264-1265. DOI: 10.1139/P85-207 |
0.537 |
|
| 1985 |
Seijo L, Barandiaran Z, Klobukowski M, Huzinaga S. Ab initio calculations on transition metal compounds using small minimal GTO basis sets Chemical Physics Letters. 117: 151-153. DOI: 10.1016/0009-2614(85)85225-8 |
0.418 |
|
| 1985 |
Huzinaga S, Klobukowski M. Well-tempered GTF basis sets for the atoms K through χe Chemical Physics Letters. 120: 509-512. DOI: 10.1016/0009-2614(85)80543-1 |
0.325 |
|
| 1985 |
Matsuoka O, Klobukowski M, Huzinaga S. Kinetically balanced calculations on relativistic many-electron atoms Chemical Physics Letters. 113: 395-398. DOI: 10.1016/0009-2614(85)80389-4 |
0.358 |
|
| 1985 |
Sordo JA, Klobukowski M, Fraga S. Theoretical study of the tautomeric equilibrium of 4(1H)-pyridinone in solution Journal of the American Chemical Society. 107: 7569-7572. DOI: 10.1002/Chin.198613079 |
0.614 |
|
| 1985 |
Klobukowski M, Huzinaga S. The well-tempered GTF basis sets in calculations on the s2d n, s1dn+1, and dn+2 configurations of the first- and second-row transition metal atoms The Journal of Chemical Physics. 84: 323-325. |
0.361 |
|
| 1984 |
Andzelm J, Huzinaga S, Klobukowski M, Radzio E. Model potential study of the interactions in Ar2, Kr2 and Xe2 dimers Molecular Physics. 52: 1495-1513. DOI: 10.1080/00268978400102071 |
0.396 |
|
| 1984 |
Huzinaga S, Klobukowski M, Sakai Y. Model potential method in molecular calculations Journal of Physical Chemistry. 88: 4880-4886. DOI: 10.1021/J150665A015 |
0.418 |
|
| 1983 |
Andzelm J, Radzio-Andzelm E, Klobukowski M. Preparation of small atomic Gaussian basis sets for molecular calculations Journal of Molecular Structure: Theochem. 94: 197-199. DOI: 10.1016/0022-2860(83)90277-6 |
0.404 |
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| 1983 |
Huzinaga S, Klobukowski M, Sakai Y. An atomic Gaussian-type orbital roothaan-hartree-fock program Computer Physics Communications. 30: 311-323. DOI: 10.1016/0010-4655(83)90098-X |
0.308 |
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| 1983 |
Nowak W, Karwowski J, Kłobukowski M. Relativistic and correlation corrections to electron affinities of alkali and halogen atoms Theoretica Chimica Acta. 63: 313-316. DOI: 10.1007/Bf01151608 |
0.719 |
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| 1983 |
Klobukowski M. Nonrelativistic and quasirelativistic model potential calculations on AgH and Ag2 Journal of Computational Chemistry. 4: 350-361. DOI: 10.1002/Jcc.540040310 |
0.431 |
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| Low-probability matches (unlikely to be authored by this person) |
| 2012 |
Zeng T, Fedorov DG, Schmidt MW, Klobukowski M. Natural Spinors Reveal How the Spin-Orbit Coupling Affects the Jahn-Teller Distortions in the Hexafluorotungstate(V) Anion. Journal of Chemical Theory and Computation. 8: 3061-71. PMID 26605717 DOI: 10.1021/Ct300205R |
0.3 |
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| 2011 |
Zeng T, Fedorov DG, Schmidt MW, Klobukowski M. Effects of Spin-Orbit Coupling on Covalent Bonding and the Jahn-Teller Effect Are Revealed with the Natural Language of Spinors. Journal of Chemical Theory and Computation. 7: 2864-75. PMID 26605477 DOI: 10.1021/Ct200457Q |
0.299 |
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| 1998 |
Slebocka-Tilk H, Neverov A, Motallebi S, Brown RS, Donini O, Gainsforth JL, Klobukowski M. Electrophilic bromination of specifically deuterated cyclohexenes: A combined experimental and theoretical investigation Journal of the American Chemical Society. 120: 2578-2585. DOI: 10.1021/Ja971145H |
0.298 |
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| 2011 |
Zeng T, Fedorov DG, Schmidt MW, Klobukowski M. Two-component natural spinors from two-step spin-orbit coupled wave functions. The Journal of Chemical Physics. 134: 214107. PMID 21663344 DOI: 10.1063/1.3592780 |
0.295 |
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| 2010 |
Lo JMH, Marriott RA, Giri BR, Roscoe JM, Klobukowski M. A theoretical analysis of the kinetics of the reaction of atomic bromine with tetrahydrofuran Canadian Journal of Chemistry. 88: 1136-1145. DOI: 10.1139/V10-092 |
0.294 |
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| 2008 |
Mane JY, Klobukowski M, Huzil JT, Tuszynski J. Free energy calculations on the binding of colchicine and its derivatives with the alpha/beta-tubulin isoforms. Journal of Chemical Information and Modeling. 48: 1824-32. PMID 18712858 DOI: 10.1021/Ci800054N |
0.291 |
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| 2016 |
Ayoub AT, Abou El-Magd RM, Xiao J, Lewis CW, Tilli T, Arakawa K, Nindita Y, Chan G, Sun L, Glover JN, Klobukowski M, Tuszynski JA. Antitumor activity of lankacidin group antibiotics is due to microtubule stabilization via a paclitaxel-like mechanism. Journal of Medicinal Chemistry. PMID 27718573 DOI: 10.1021/Acs.Jmedchem.6B01264 |
0.286 |
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| 2015 |
Churchill CD, Klobukowski M, Tuszynski JA. The Unique Binding Mode of Laulimalide to Two Tubulin Protofilaments. Chemical Biology & Drug Design. 86: 190-9. PMID 25376845 DOI: 10.1111/Cbdd.12475 |
0.277 |
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| 1994 |
Brown RS, Nagorski RW, Bennet AJ, McClung RED, Aarts GHM, Klobukowski M, McDonald R, Santarsiero BD. Stable Bromonium and Iodonium Ions of the Hindered Olefins Adamantylideneadamantane and Bicyclo[3.3.1]nonylidenebicyclo[3.3.1]nonane. X-Ray Structure, Transfer of Positive Halogens to Acceptor Olefins, and ab Initio Studies Journal of the American Chemical Society. 116: 2448-2456. DOI: 10.1021/Ja00085A027 |
0.272 |
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| 1997 |
Gainsforth JL, Klobukowski M, Tanner DD. Structure and reactions of the succinimidyl radical: A density functional study Journal of the American Chemical Society. 119: 3339-3346. DOI: 10.1021/ja9630710 |
0.26 |
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| 2017 |
Craddock TJA, Kurian P, Preto J, Sahu K, Hameroff SR, Klobukowski M, Tuszynski JA. Anesthetic Alterations of Collective Terahertz Oscillations in Tubulin Correlate with Clinical Potency: Implications for Anesthetic Action and Post-Operative Cognitive Dysfunction. Scientific Reports. 7: 9877. PMID 28852014 DOI: 10.1038/S41598-017-09992-7 |
0.259 |
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| 1985 |
Andzelm J, Huzinaga S, Klobukowski M, Radzio E. Model potential study of the interactions in ArHCl, ArHBr, KrHCl and XeHCl systems Chemical Physics. 100: 1-11. DOI: 10.1016/0301-0104(85)87018-X |
0.258 |
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| 2015 |
Craddock TJ, Hameroff SR, Ayoub AT, Klobukowski M, Tuszynski JA. Anesthetics act in quantum channels in brain microtubules to prevent consciousness. Current Topics in Medicinal Chemistry. 15: 523-33. PMID 25714379 DOI: 10.2174/1568026615666150225104543 |
0.256 |
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| 1975 |
LODZINSKA A, GRODZICKI A, KLOBUKOWSKI M. ChemInform Abstract: ANALYSIS OF THE D-D TRANSITIONS IN OCTAHEDRAL CO(II) COMPLEXES Chemischer Informationsdienst. 6: no-no. DOI: 10.1002/Chin.197529006 |
0.251 |
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| 2013 |
Ayoub AT, Klobukowski M, Tuszynski J. Similarity-based virtual screening for microtubule stabilizers reveals novel antimitotic scaffold. Journal of Molecular Graphics & Modelling. 44: 188-96. PMID 23871820 DOI: 10.1016/J.Jmgm.2013.05.008 |
0.25 |
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| 1987 |
Lovas FJ, Suenram RD, Ross S, Klobukowski M. Rotational, structural, ab initio, and semirigid bender analysis of the millimeter wave spectrum of H2COHF Journal of Molecular Spectroscopy. 123: 167-186. DOI: 10.1016/0022-2852(87)90269-4 |
0.235 |
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| 2015 |
St George M, Ayoub AT, Banerjee A, Churchill CD, Winter P, Klobukowski M, Cass CE, Ludueña RF, Tuszynski JA, Damaraju S. Designing and Testing of Novel Taxanes to Probe the Highly Complex Mechanisms by Which Taxanes Bind to Microtubules and Cause Cytotoxicity to Cancer Cells. Plos One. 10: e0129168. PMID 26052950 DOI: 10.1371/Journal.Pone.0129168 |
0.234 |
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| 1982 |
Klobukowski M. An adaptation of ACQI to calculate the data for MSXALPHA program Computer Physics Communications. 25: 29-38. DOI: 10.1016/0010-4655(82)90041-8 |
0.232 |
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| 2020 |
Moghadam SA, Preto J, Klobukowski M, Tuszynski JA. Testing amino acid-codon affinity hypothesis using molecular docking Biosystems. 198: 104251. PMID 32966852 DOI: 10.1016/J.Biosystems.2020.104251 |
0.229 |
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| 1986 |
Klobukowski M, Huzinaga S. The well‐tempered GTF basis sets in calculations on the s2d n, s1d n+1, and d n+2 configurations of the first‐ and second‐row transition metal atoms The Journal of Chemical Physics. 84: 323-325. DOI: 10.1063/1.450141 |
0.224 |
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| 2015 |
Churchill CD, Klobukowski M, Tuszynski JA. Elucidating the mechanism of action of the clinically approved taxanes: a comprehensive comparison of local and allosteric effects. Chemical Biology & Drug Design. 86: 1253-66. PMID 26032329 DOI: 10.1111/Cbdd.12595 |
0.218 |
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| 2015 |
Kuban-Jankowska A, Gorska M, Tuszynski JA, Churchill CD, Winter P, Klobukowski M, Wozniak M. Inactivation of Protein Tyrosine Phosphatases by Peracids Correlates with the Hydrocarbon Chain Length. Cellular Physiology and Biochemistry : International Journal of Experimental Cellular Physiology, Biochemistry, and Pharmacology. 36: 1069-83. PMID 26112900 DOI: 10.1159/000430280 |
0.216 |
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| 2020 |
Moghadam SA, Klobukowski M, Tuszynski JA. A search for the physical basis of the genetic code. Bio Systems. 195: 104148. PMID 32380130 DOI: 10.1016/J.Biosystems.2020.104148 |
0.208 |
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| 1987 |
Huzinaga S, Klobukowski M. Symposium on computational quantum chemistry and parallel processors - University of Alberta, June 30 - July 2, 1986 Theoretica Chimica Acta. 71: 89-90. DOI: 10.1007/Bf00526410 |
0.201 |
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| 1982 |
Katsuki S, Klobukowski M, Palting P. A compact program of the SCF-Xα scattered wave method: Version II Computer Physics Communications. 25: 39-55. DOI: 10.1016/0010-4655(82)90042-X |
0.196 |
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| 1986 |
Fraga S, Klobukowski M, Muszynska J, Saxena KMS, Sordo JA. Matrix elements of the Breit Hamiltonian Physical Review A. 34: 23-28. DOI: 10.1103/PhysRevA.34.23 |
0.179 |
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| 2009 |
Gajewski M, Klobukowski M. DFT studies of complexes between ethylenediamine tetraacetate and alkali and alkaline earth cations Canadian Journal of Chemistry. 87: 1492-1498. DOI: 10.1139/V09-093 |
0.172 |
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| 1994 |
Brown RS, Nagorski RW, Bennet AJ, McClung RED, Aarts GHM, Klobukowski M, McDonald R, Santarsiero BD. Stable bromonium and iodonium ions of the hindered olefins adamantylideneadamantane and bicyclo[3.3.1]nonylidenebicyclo[3.3.1]nonane. X-ray structure, transfer of positive halogens to acceptor olefins, and ab initio studies Journal of the American Chemical Society. 116: 2448-2456. |
0.156 |
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| 2013 |
Fitzsimmons A, Klobukowski M. Basis set effects in simple compounds of heavy rare gases Canadian Journal of Chemistry. 91: 894-901. DOI: 10.1139/cjc-2012-0510 |
0.144 |
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| 2022 |
Moshari M, Wang Q, Michalak M, Klobukowski M, Tuszynski JA. Computational Prediction and Experimental Validation of the Unique Molecular Mode of Action of Scoulerine. Molecules (Basel, Switzerland). 27. PMID 35807231 DOI: 10.3390/molecules27133991 |
0.141 |
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| 2008 |
Mane JY, Klobukowski M, Huzil JT, Tuszynski J. ChemInform Abstract: Free Energy Calculations on the Binding of Colchicine and Its Derivatives with the α/β-Tubulin Isoforms. Cheminform. 39. DOI: 10.1002/chin.200851215 |
0.141 |
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| 2017 |
Hennessey D, Klobukowski M. Hydrogen bonding and autoionization in confined bifluoride system FHF− Journal of Physics B: Atomic, Molecular and Optical Physics. 50: 155101. DOI: 10.1088/1361-6455/AA798E |
0.136 |
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| 2018 |
Hoeve MDv, Klobukowski M. Computational study of the electronic spectra of the rare gas fluorohydrides HRgF (Rg = Ar, Kr, Xe, Rn) Journal of Physics B: Atomic, Molecular and Optical Physics. 51: 055103. DOI: 10.1088/1361-6455/AAAA30 |
0.129 |
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| 1998 |
Koerner T, Brown RS, Gainsforth JL, Klobukowski M. Electrophilic bromination of ethylene and ethylene-d4. A combined experimental and theoretical study Journal of the American Chemical Society. 120: 5628-5636. DOI: 10.1021/ja974151m |
0.123 |
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| 1987 |
LOVAS FJ, SUENRAM RD, ROSS S, KLOBUKOWSKI M. ChemInform Abstract: Rotational, Structural, ab initio, and Semirigid Bender Analysis of the Millimeter Wave Spectrum of H2CO-HF. Cheminform. 18. DOI: 10.1002/chin.198737052 |
0.116 |
|
| 2012 |
Zeng T, Fedorov DG, Schmidt MW, Klobukowski M. Natural spinors reveal how the spin-orbit coupling affects the Jahn-Teller distortions in the hexafluorotungstate(V) anion Journal of Chemical Theory and Computation. 8: 3061-3071. DOI: 10.1021/ct300205r |
0.112 |
|
| 2013 |
Gajewski MM, Tuszynski JA, Barakat K, Torin Huzil J, Klobukowski M. Interactions of laulimalide, peloruside, and their derivatives with the isoforms of β-tubulin Canadian Journal of Chemistry. 91: 511-517. DOI: 10.1139/cjc-2012-0360 |
0.109 |
|
| 1990 |
Epa VC, Choi JH, Klobukowski M, Thorson WR. Vibrational dynamics of the bifluoride ion. I. Construction of a model potential surface The Journal of Chemical Physics. 92: 466-472. DOI: 10.1063/1.458449 |
0.082 |
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| 1990 |
Epa VC, Choi JH, Klobukowski M, Thorson WR. Vibrational dynamics of the bifluoride ion. I. Construction of a model potential surface The Journal of Chemical Physics. 92: 466-472. |
0.082 |
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| 2013 |
Gajewski MM, Tuszynski JA, Barakat K, Huzil JT, Klobukowski M. ChemInform Abstract: Interactions of Laulimalide, Peloruside, and Their Derivatives with the Isoforms of β-Tubulin Cheminform. 44: no-no. DOI: 10.1002/chin.201340267 |
0.057 |
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| 1994 |
Klobukowski M, Brown RS. Gas-phase structure of the bromonium ion of 2-methylpropene Journal of Organic Chemistry. 59: 7156-7160. |
0.049 |
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| 1991 |
Bennet AJ, Brown RS, McClung RED, Klobukowski M, Aarts GHM, Santarsiero BD, Bellucci G, Bianchini R. An unprecedented rapid and direct Br+ transfer from the bromonium ion of adamantylideneadamantane to acceptor olefins Journal of the American Chemical Society. 113: 8532-8534. |
0.041 |
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| Hide low-probability matches. |