| Year |
Citation |
Score |
| 2013 |
Rode JE, Dobrowolski JC, Sadlej J. Prediction of l-methionine VCD spectra in the gas phase and water solution Journal of Physical Chemistry B. 117: 14202-14214. PMID 24195697 DOI: 10.1021/jp405462a |
0.398 |
|
| 2012 |
Rode JE, Jamróz MH, Dobrowolski JC, Sadlej J. On vibrational circular dichroism chirality transfer in electron donor-acceptor complexes: a prediction for the quinine···BF3 system. The Journal of Physical Chemistry. A. 116: 7916-26. PMID 22765267 DOI: 10.1021/jp304955v |
0.339 |
|
| 2012 |
Gronowski M, Kołos R, Sadlej J. Structure, energetics, and infrared spectra of weakly bound HC(2n+1)N···HCl complexes. A theoretical study. The Journal of Physical Chemistry. A. 116: 5665-73. PMID 22607493 DOI: 10.1021/jp300778j |
0.55 |
|
| 2012 |
Kulczycka-Mierzejewska K, Trylska J, Sadlej J. Quantum mechanical studies of lincosamides. Journal of Molecular Modeling. 18: 2727-40. PMID 22116607 DOI: 10.1007/s00894-011-1272-4 |
0.383 |
|
| 2012 |
Wójcik MJ, Blaise P, Sadlej J, Flakus H. Recent Advances in Spectroscopy of Hydrogen-Bonded Systems Journal of Atomic, Molecular, and Optical Physics. 2012: 1-1. DOI: 10.1155/2012/174236 |
0.316 |
|
| 2011 |
Cukras J, Sadlej J. Theoretical predictions of the spectroscopic parameters in noble-gas molecules: HXeOH and its complex with water. Physical Chemistry Chemical Physics : Pccp. 13: 15455-67. PMID 21804992 DOI: 10.1039/c1cp21359h |
0.366 |
|
| 2011 |
Siuda P, Sadlej J. Nuclear magnetic resonance parameters for methane molecule trapped in clathrate hydrates. The Journal of Physical Chemistry. A. 115: 612-9. PMID 21218822 DOI: 10.1021/jp110587x |
0.347 |
|
| 2011 |
Rode JE, Dobrowolski JC, Sadlej J. Phenylisoserine in the gas-phase and water: Ab initio studies on neutral and zwitterion conformers. Journal of Molecular Modeling. 17: 961-70. PMID 20623308 DOI: 10.1007/s00894-010-0783-8 |
0.38 |
|
| 2011 |
Arunan E, Desiraju GR, Klein RA, Sadlej J, Scheiner S, Alkorta I, Clary DC, Crabtree RH, Dannenberg JJ, Hobza P, Kjaergaard HG, Legon AC, Mennucci B, Nesbitt DJ. Defining the hydrogen bond: An account (IUPAC Technical Report) Pure and Applied Chemistry. 83: 1619-1636. DOI: 10.1351/Pac-Rep-10-01-01 |
0.318 |
|
| 2011 |
Arunan E, Desiraju GR, Klein RA, Sadlej J, Scheiner S, Alkorta I, Clary DC, Crabtree RH, Dannenber JJ, Hobza P, Kjaergaard HG, Legon AC, Mennucci B, Nesbitt DJ. Definition of the hydrogen bond (IUPAC Recommendations 2011) Pure and Applied Chemistry. 83: 1637-1641. DOI: 10.1351/Pac-Rec-10-01-02 |
0.308 |
|
| 2010 |
Dobrowolski JC, Jamróz MH, Kołos R, Rode JE, Cyrański MK, Sadlej J. IR low-temperature matrix, X-ray and ab initio study on L-isoserine conformations. Physical Chemistry Chemical Physics : Pccp. 12: 10818-30. PMID 20617269 DOI: 10.1039/c0cp00016g |
0.644 |
|
| 2010 |
SADLEJ J, JAWORSKI A, MIASKIEWICZ K. ChemInform Abstract: A Theoretical Study of the Vibrational Spectra of Imidazole and Its Different Forms Cheminform. 24: no-no. DOI: 10.1002/CHIN.199311047 |
0.348 |
|
| 2009 |
Cybulski H, Sadlej J. A computational study of the nuclear magnetic resonance parameters for double proton exchange pathways in the formamide-formic acid and formamide-formamidine complexes. Physical Chemistry Chemical Physics : Pccp. 11: 11232-42. PMID 20024392 DOI: 10.1039/b913947h |
0.343 |
|
| 2008 |
Cybulski H, Sadlej J. Symmetry-Adapted Perturbation-Theory Interaction-Energy Decomposition for Hydrogen-Bonded and Stacking Structures. Journal of Chemical Theory and Computation. 4: 892-7. PMID 26621230 DOI: 10.1021/ct800067m |
0.365 |
|
| 2008 |
Dobrowolski JC, Jamróz MH, Kołos R, Rode JE, Sadlej J. IR low-temperature matrix and ab initio study on beta-alanine conformers. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 2042-51. PMID 18785674 DOI: 10.1002/cphc.200800383 |
0.62 |
|
| 2008 |
Kulczycka K, Kalbarczyk P, Uras-Aytemiz N, Sadlej J. Interaction in the ternary complexes of HCl-methanol-X, X = H2O or NH3: Ab initio calculations and on-the-fly molecular dynamics. The Journal of Physical Chemistry. A. 112: 3870-8. PMID 18399675 DOI: 10.1021/jp800042e |
0.35 |
|
| 2008 |
Buch V, Dubrovskiy A, Mohamed F, Parrinello M, Sadlej J, Hammerich AD, Devlin JP. HCl hydrates as model systems for protonated water. The Journal of Physical Chemistry. A. 112: 2144-61. PMID 18288820 DOI: 10.1021/Jp076391M |
0.379 |
|
| 2007 |
Sadlej J, Dobrowolski JC, Rode JE, Jamróz MH. Density functional theory study on vibrational circular dichroism as a tool for analysis of intermolecular systems: (1:1) cysteine-water complex conformations Journal of Physical Chemistry A. 111: 10703-10711. PMID 17914767 DOI: 10.1021/jp074067l |
0.418 |
|
| 2007 |
Dobrowolski JC, Jamróz MH, Kołos R, Rode JE, Sadlej J. Theoretical prediction and the first IR matrix observation of several L-cysteine molecule conformers. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1085-94. PMID 17429824 DOI: 10.1002/cphc.200600784 |
0.66 |
|
| 2007 |
Dobrowolski JC, Rode JE, Sadlej J. Cysteine conformations revisited Journal of Molecular Structure: Theochem. 810: 129-134. DOI: 10.1016/j.theochem.2007.02.011 |
0.344 |
|
| 2006 |
Uras-Aytemiz N, Devlin JP, Sadlej J, Buch V. HCl solvation at the surface and within methanol clusters/nanoparticles II: Evidence for molecular wires. The Journal of Physical Chemistry. B. 110: 21751-63. PMID 17064136 DOI: 10.1021/Jp062753Z |
0.352 |
|
| 2006 |
Sadlej J, Dobrowolski JC, Rode JE, Jamróz MH. DFT study of vibrational circular dichroism spectra of D-lactic acid-water complexes Physical Chemistry Chemical Physics. 8: 101-113. PMID 16482249 DOI: 10.1039/b509351a |
0.447 |
|
| 2006 |
Cybulski H, Tymińska E, Sadlej J. The properties of weak and strong dihydrogen-bonded D-H...H-A complexes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 629-39. PMID 16477668 DOI: 10.1002/cphc.200500462 |
0.36 |
|
| 2006 |
Weimann M, Fárník M, Suhm MA, Alikhani ME, Sadlej J. Cooperative and anticooperative mixed trimers of HCl and methanol Journal of Molecular Structure. 790: 18-26. DOI: 10.1016/J.Molstruc.2005.12.015 |
0.45 |
|
| 2006 |
Uras-Aytemiz N, Devlin JP, Sadlej J, Buch V. HCl solvation in methanol clusters and nanoparticles: Evidence for proton-wires Chemical Physics Letters. 422: 179-183. DOI: 10.1016/J.Cplett.2006.02.064 |
0.317 |
|
| 2006 |
Cybulski H, Pecul M, Sadlej J. On the calculations of the nuclear spin–spin coupling constants in small water clusters Chemical Physics. 326: 431-444. DOI: 10.1016/J.Chemphys.2006.03.047 |
0.323 |
|
| 2004 |
Andrzejewska A, Sadlej J. Ab initio study on mixed methanol–hydrogen chloride dimer and trimers Chemical Physics Letters. 393: 228-235. DOI: 10.1016/J.CPLETT.2004.06.035 |
0.307 |
|
| 2003 |
Kisiel Z, Pietrewicz BA, Desyatnyk O, Pszczółkowski L, Struniewicz I, Sadlej J. Structure and properties of the weakly bound cyclic trimer (H2O)2HBr observed by rotational spectroscopy The Journal of Chemical Physics. 119: 5907-5917. DOI: 10.1063/1.1602067 |
0.307 |
|
| 2003 |
Cybulski H, Pecul M, Sadlej J, Helgaker T. Characterization of dihydrogen-bonded D–H⋯H–A complexes on the basis of infrared and magnetic resonance spectroscopic parameters The Journal of Chemical Physics. 119: 5094-5104. DOI: 10.1063/1.1597633 |
0.362 |
|
| 2003 |
Pecul M, Sadlej J, Helgaker T. Calculations of hydrogen-bond-transmitted indirect nuclear spin–spin couplings: a comparison of density-functional and ab initio methods Chemical Physics Letters. 372: 476-484. DOI: 10.1016/S0009-2614(03)00475-5 |
0.314 |
|
| 2002 |
Pecul M, Sadlej J, Leszczynski J. Erratum: “The 19F–1H coupling constants transmitted through covalent, hydrogen bond, and van der Waals interactions” [J. Chem. Phys. 115, 5498 (2001)] The Journal of Chemical Physics. 116: 1748-1748. DOI: 10.1063/1.1429246 |
0.301 |
|
| 2001 |
Milet A, Struniewicz C, Moszynski R, Sadlej J, Kisiel Z, Białkowska-Jaworska E, Pszczółkowski L. Structure and properties of the weakly bound trimer (H2O)2HCl. Theoretical predictions and comparison with high-resolution rotational spectroscopy Chemical Physics. 271: 267-282. DOI: 10.1016/S0301-0104(01)00449-9 |
0.314 |
|
| 2000 |
Pecul M, Leszczynski J, Sadlej J. Comprehensive ab initio studies of nuclear magnetic resonance shielding and coupling constants in XH⋯O hydrogen-bonded complexes of simple organic molecules The Journal of Chemical Physics. 112: 7930-7938. DOI: 10.1063/1.481394 |
0.365 |
|
| 2000 |
Kisiel Z, Białkowska-Jaworska E, Pszczółkowski L, Milet A, Struniewicz C, Moszynski R, Sadlej J. Structure and properties of the weakly bound trimer (H2O)2HCl observed by rotational spectroscopy The Journal of Chemical Physics. 112: 5767-5776. DOI: 10.1063/1.481152 |
0.301 |
|
| 2000 |
Pecul M, Leszczynski J, Sadlej J. The Shielding Constants and Scalar Couplings in N−H···OC and N−H···NC Hydrogen Bonded Systems: An ab Initio MO Study The Journal of Physical Chemistry A. 104: 8105-8113. DOI: 10.1021/Jp001251X |
0.366 |
|
| 1998 |
Buck U, Ettischer I, Melzer M, Buch V, Sadlej J. Structure and Spectra of Three-Dimensional ( H 2 O ) n Clusters, n = 8 , 9 , 10 Physical Review Letters. 80: 2578-2581. DOI: 10.1103/Physrevlett.80.2578 |
0.315 |
|
| 1995 |
Sadlej J, Rowland B, Devlin JP, Buch V. Vibrational spectra of water complexes with H2, N2, and CO Journal of Chemical Physics. 102: 4804-4818. DOI: 10.1063/1.469528 |
0.411 |
|
| 1994 |
Sadlej J, Buch V. Ab initio study of the intermolecular potential of the water–carbon monoxide complex Journal of Chemical Physics. 100: 4272-4283. DOI: 10.1063/1.466309 |
0.309 |
|
| 1992 |
Sadlej J, Jaworski A, Miaskiewicz K. A theoretical study of the vibrational spectra of imidazole and its different forms Journal of Molecular Structure. 274: 247-257. DOI: 10.1016/0022-2860(92)80161-A |
0.35 |
|
| 1992 |
Sadlej J, Edwards WD. Correlatedab initio geometry and vibrational spectra of imidazole and its different forms International Journal of Quantum Chemistry. 44: 409-420. DOI: 10.1002/QUA.560440836 |
0.367 |
|
| 1991 |
Sadlej J, Miaskiewicz K. Ab initio calculations of the vibrational spectra of the ammonia and fluoramide complexes with HF Journal of Molecular Structure: Theochem. 236: 427-441. DOI: 10.1016/0166-1280(91)80032-4 |
0.363 |
|
| 1989 |
Sadlej J, Roos BO. A quantum chemical study of the hydrogen bonding in the CO2⋯HF and N2O⋯HF complexes Theoretica Chimica Acta. 76: 173-185. DOI: 10.1007/Bf00527471 |
0.359 |
|
| 1989 |
SADLEJ J. ChemInform Abstract: Ab initio MO Calculations of the IR Spectra of Hydrogen Bonded and Lithium Bonded Complexes of Ammonia. Cheminform. 20. DOI: 10.1002/CHIN.198907004 |
0.456 |
|
| 1988 |
Sadlej J. Ab initio molecular orbital calculations of the IR spectra of hydrogen bonded and lithium bonded complexes of ammonia Journal of Molecular Structure: Theochem. 180: 65-77. DOI: 10.1016/0166-1280(88)80079-4 |
0.455 |
|
| 1979 |
Sadlej J. Spectroscopic parameters of interacting systems. V. Ab initio study of vibrational band intensity changes due to hydrogen bonding of the hcn…hf complex Advances in Molecular Relaxation and Interaction Processes. 15: 173-180. DOI: 10.1016/0378-4487(79)80048-5 |
0.369 |
|
| 1977 |
Adamowicz L, Sadlej J. Semiempirical calculations for interacting molecular systems. IV. Molecular electrostatic potentials for oxygen donors of electrons Advances in Molecular Relaxation and Interaction Processes. 10: 283-290. DOI: 10.1016/0378-4487(77)80004-6 |
0.341 |
|
| Show low-probability matches. |