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Jacek Klos - Publications

Affiliations: 
Chemistry and Biochemistry, Physics University of Maryland, College Park, College Park, MD 
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43 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Vindel-Zandbergen P, Kȩdziera D, Żółtowski M, Kłos J, Żuchowski P, Felker PM, Lique F, Bačić Z. H2O-HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations. The Journal of Chemical Physics. 159. PMID 37909452 DOI: 10.1063/5.0173751  0.45
2023 Morita M, Kendrick BK, Kłos J, Kotochigova S, Brumer P, Tscherbul TV. Signatures of Non-universal Quantum Dynamics of Ultracold Chemical Reactions of Polar Alkali Dimer Molecules with Alkali Metal Atoms: Li(S) + NaLi(Σ) → Na(S) + Li(Σ). The Journal of Physical Chemistry Letters. 3413-3421. PMID 37001115 DOI: 10.1021/acs.jpclett.3c00159  0.316
2023 Kłos J, Tiesinga E. Elastic and glancing-angle rate coefficients for heating of ultracold Li and Rb atoms by collisions with room-temperature noble gases, H, and N. The Journal of Chemical Physics. 158: 014308. PMID 36610981 DOI: 10.1063/5.0124062  0.344
2020 Li M, Kłos J, Petrov A, Li H, Kotochigova S. Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom. Scientific Reports. 10: 14130. PMID 32839529 DOI: 10.1038/s41598-020-71068-w  0.429
2020 Amarasinghe C, Li H, Perera CA, Besemer M, Zuo J, Xie C, van der Avoird A, Groenenboom GC, Guo H, Kłos J, Suits AG. State-to-state scattering of highly vibrationally excited NO at broadly tunable energies. Nature Chemistry. PMID 32393824 DOI: 10.1038/S41557-020-0466-8  0.428
2019 Bergeat A, Morales SB, Naulin C, Kłos J, Lique F. Quantum Behavior of Spin-Orbit Inelastic Scattering of C-Atoms by D at Low Energy. Frontiers in Chemistry. 7: 164. PMID 30984737 DOI: 10.3389/fchem.2019.00164  0.383
2019 Kumar P, Kłos J, Poirier B, Alexander MH, Guo H. Accurate characterization of the lowest triplet potential energy surface of SO with a coupled cluster method. The Journal of Chemical Physics. 150: 144303. PMID 30981276 DOI: 10.1063/1.5088959  0.593
2018 Dagdigian PJ, Kłos J. The effect of nonadiabaticity on the C + HF reaction. The Journal of Chemical Physics. 149: 204309. PMID 30501249 DOI: 10.1063/1.5056312  0.325
2018 Kłos J, Bergeat A, Vanuzzo G, Morales SB, Naulin C, Lique F. Probing Nonadiabatic Effects in Low-Energy C( P ) + H Collisions. The Journal of Physical Chemistry Letters. 9: 6496-6501. PMID 30376335 DOI: 10.1021/acs.jpclett.8b03025  0.38
2018 Bergeat A, Chefdeville S, Costes M, Morales SB, Naulin C, Even U, Kłos J, Lique F. Understanding the quantum nature of low-energy C(P ) + He inelastic collisions. Nature Chemistry. 10: 519-522. PMID 29662206 DOI: 10.1038/s41557-018-0030-y  0.427
2018 Nuñez-Reyes D, Kłos J, Alexander MH, Dagdigian PJ, Hickson KM. Experimental and theoretical investigation of the temperature dependent electronic quenching of O(D) atoms in collisions with Kr. The Journal of Chemical Physics. 148: 124311. PMID 29604824 DOI: 10.1063/1.5021885  0.514
2018 Vogels SN, Karman T, Kłos J, Besemer M, Onvlee J, van der Avoird A, Groenenboom GC, van de Meerakker SYT. Scattering resonances in bimolecular collisions between NO radicals and Hchallenge the theoretical gold standard. Nature Chemistry. PMID 29459690 DOI: 10.1038/S41557-018-0001-3  0.406
2017 Xie C, Jiang B, Klos J, Kumar P, Alexander MH, Poirier B, Guo H. Final State Resolved Quantum Predissociation Dynamics of SO2(C(∽1)B2) Isotopologues via a Crossing with a Singlet Repulsive State. The Journal of Physical Chemistry. A. PMID 28613867 DOI: 10.1021/Acs.Jpca.7B04629  0.57
2017 Quiros N, Tariq N, Tscherbul TV, Kłos J, Weinstein JD. Cold Anisotropically Interacting van der Waals Molecule: TiHe. Physical Review Letters. 118: 213401. PMID 28598640 DOI: 10.1103/Physrevlett.118.213401  0.335
2017 Jiang B, Kumar P, Kłos J, Alexander MH, Poirier B, Guo H. First-principles C band absorption spectra of SO2 and its isotopologues. The Journal of Chemical Physics. 146: 154305. PMID 28433016 DOI: 10.1063/1.4980124  0.552
2017 Kłos J, Ma Q, Alexander MH, Dagdigian PJ. The interaction of NO(X(2)Π) with H2: Ab initio potential energy surfaces and bound states. The Journal of Chemical Physics. 146: 114301. PMID 28330347 DOI: 10.1063/1.4977992  0.538
2017 Kumar P, Jiang B, Guo H, Klos J, Alexander MH, Poirier B. Photoabsorption Assignments for the ˜C (1)B2 ← ˜X (1)A1 Vibronic Transitions of SO2, Using New Ab Initio Potential Energy and Transition Dipole Surfaces. The Journal of Physical Chemistry. A. PMID 28068096 DOI: 10.1021/Acs.Jpca.6B12958  0.547
2016 Kłos J, Kim M, Alexander MH, Wang Y. Chemical Control and Spectral Fingerprints of Electronic Coupling in Carbon Nanostructures. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 120: 29476-29483. PMID 28819465 DOI: 10.1021/Acs.Jpcc.6B09612  0.457
2016 Kłos J, Hapka M, Chałasiński G, Halvick P, Stoecklin T. Theoretical study of the buffer-gas cooling and trapping of CrH(X(6)Σ(+)) by (3)He atoms. The Journal of Chemical Physics. 145: 214305. PMID 28799340 DOI: 10.1063/1.4968529  0.361
2016 Dagdigian PJ, Kłos J, Warehime M, Alexander MH. Accurate transport properties for O((3)P)-H and O((3)P)-H2. The Journal of Chemical Physics. 145: 164309. PMID 27802650 DOI: 10.1063/1.4966150  0.535
2016 Kłos J, Alexander MH, Kumar P, Poirier B, Jiang B, Guo H. Publisher's Note: "New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2" [J. Chem. Phys. 144, 174301 (2016)]. The Journal of Chemical Physics. 144: 209901. PMID 27250334 DOI: 10.1063/1.4951737  0.578
2016 Orek C, Kłos J, Lique F, Bulut N. Ab initio studies of the Rg-NO(+)(X(1)Σ(+)) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe). The Journal of Chemical Physics. 144: 204303. PMID 27250302 DOI: 10.1063/1.4950813  0.336
2016 Kłos J, Alexander MH, Kumar P, Poirier B, Jiang B, Guo H. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2. The Journal of Chemical Physics. 144: 174301. PMID 27155634 DOI: 10.1063/1.4947526  0.604
2016 Hickson KM, Loison JC, Lique F, Kłos J. An Experimental and Theoretical Investigation of the C((1)D) + N2 → C((3)P) + N2 Quenching Reaction at Low Temperature. The Journal of Physical Chemistry. A. 120: 2504-13. PMID 27046417 DOI: 10.1021/acs.jpca.6b00480  0.326
2015 Garofalo LA, Smith MC, Dagdigian PJ, Kłos J, Alexander MH, Boering KA, Lin JJ. Electronic quenching of O((1)D) by Xe: Oscillations in the product angular distribution and their dependence on collision energy. The Journal of Chemical Physics. 143: 054307. PMID 26254653 DOI: 10.1063/1.4927705  0.523
2015 Dagdigian PJ, Alexander MH, Kłos J. Theoretical investigation of the dynamics of O((1)D→(3)P) electronic quenching by collision with Xe. The Journal of Chemical Physics. 143: 054306. PMID 26254652 DOI: 10.1063/1.4927704  0.571
2015 Marinakis S, Dean IL, Kłos J, Lique F. Collisional excitation of CH(X²Π) by He: new ab initio potential energy surfaces and scattering calculations. Physical Chemistry Chemical Physics : Pccp. 17: 21583-93. PMID 26220835 DOI: 10.1039/c5cp03696h  0.353
2015 Bulut N, Kłos J, Roncero O. Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction. The Journal of Chemical Physics. 142: 214310. PMID 26049499 DOI: 10.1063/1.4922110  0.42
2014 Chadwick H, Nichols B, Gordon SD, Hornung B, Squires E, Brouard M, Kłos J, Alexander MH, Aoiz FJ, Stolte S. Inelastic Scattering of NO by Kr: Rotational Polarization over a Rainbow. The Journal of Physical Chemistry Letters. 5: 3296-301. PMID 26278434 DOI: 10.1021/Jz501621C  0.452
2014 Artiukhin DG, Kłos J, Bieske EJ, Buchachenko AA. Interaction of the beryllium cation with molecular hydrogen and deuterium. The Journal of Physical Chemistry. A. 118: 6711-20. PMID 24978305 DOI: 10.1021/Jp504363D  0.38
2014 Kalugina Y, Kłos J, Lique F. Collisional excitation of CN(X2Σ+) by para- and ortho-H2: Fine-structure resolved transitions. The Journal of Chemical Physics. 139: 074301. PMID 23968086 DOI: 10.1063/1.4817933  0.443
2013 Hapka M, Chałasiński G, Kłos J, Zuchowski PS. First-principle interaction potentials for metastable He(3S) and Ne(3P) with closed-shell molecules: application to Penning-ionizing systems. The Journal of Chemical Physics. 139: 014307. PMID 23822303 DOI: 10.1063/1.4812182  0.343
2013 Hapka M, Kłos J, Korona T, Chałasiński G. Theoretical studies of potential energy surface and bound states of the strongly bound He(1S)-BeO (1Σ+) complex. The Journal of Physical Chemistry. A. 117: 6657-63. PMID 23796051 DOI: 10.1021/jp404467b  0.436
2012 Bulut N, Kłos J, Alexander MH. Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1(2)A' potential energy surface. The Journal of Chemical Physics. 136: 104304. PMID 22423835 DOI: 10.1063/1.3692328  0.545
2011 Sawyer BC, Stuhl BK, Yeo M, Tscherbul TV, Hummon MT, Xia Y, Kłos J, Patterson D, Doyle JM, Ye J. Cold heteromolecular dipolar collisions. Physical Chemistry Chemical Physics : Pccp. 13: 19059-66. PMID 21881670 DOI: 10.1039/C1Cp21203F  0.334
2011 Dumouchel F, Kłos J, Lique F. The rotational excitation of the interstellar HNC by para- and ortho-H2. Physical Chemistry Chemical Physics : Pccp. 13: 8204-12. PMID 21298130 DOI: 10.1039/c0cp02436h  0.39
2011 Toboła R, Dumouchel F, Kłos J, Lique F. Calculations of fine-structure resolved collisional rate coefficients for the NH(X3Σ-)-He system. The Journal of Chemical Physics. 134: 024305. PMID 21241097 DOI: 10.1063/1.3524311  0.386
2010 Lique F, Kłos J, Hochlaf M. Benchmarks for the generation of interaction potentials for scattering calculations: applications to rotationally inelastic collisions of C(4) (X(3)Σ) with He. Physical Chemistry Chemical Physics : Pccp. 12: 15672-80. PMID 20730144 DOI: 10.1039/c004945j  0.403
2010 Lique F, Spielfiedel A, Feautrier N, Schneider IF, Kłos J, Alexander MH. Rotational excitation of CN(X (2)Sigma(+)) by He: Theory and comparison with experiments. The Journal of Chemical Physics. 132: 024303. PMID 20095670 DOI: 10.1063/1.3285811  0.609
2008 Lique F, Kłos J. Quantum scattering of SiS with H2: potential energy surface and rate coefficients at low temperature. The Journal of Chemical Physics. 128: 034306. PMID 18205497 DOI: 10.1063/1.2820770  0.399
2007 Rajchel L, Zuchowski PS, Kłos J, Szcześniak MM, Chałasiński G. Interactions of transition metal atoms in high-spin states: Cr2, Sc-Cr, and Sc-Kr. The Journal of Chemical Physics. 127: 244302. PMID 18163670 DOI: 10.1063/1.2805390  0.317
2006 Atahan S, Kłos J, Zuchowski PS, Alexander MH. An ab initio investigation of the O(3P)-H2(1sigma(g)+) van der Waals well. Physical Chemistry Chemical Physics : Pccp. 8: 4420-6. PMID 17001409 DOI: 10.1039/B608871F  0.542
2005 Rode JE, Klos J, Rajchel L, Szczesniak MM, Chalasinski G, Buchachenko AA. Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl. The Journal of Physical Chemistry. A. 109: 11484-94. PMID 16354039 DOI: 10.1021/jp053419q  0.355
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