| 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 |
|
| 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 |
|
| 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 |
|
| 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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