| Year |
Citation |
Score |
| 2016 |
Setiawan D, Kalescky R, Kraka E, Cremer D. Correction to Direct Measure of Metal-Ligand Bonding Replacing the Tolman Electronic Parameter. Inorganic Chemistry. PMID 27008470 DOI: 10.1021/Acs.Inorgchem.6B00665 |
0.723 |
|
| 2015 |
Kraka E, Setiawan D, Cremer D. Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bond. Journal of Computational Chemistry. PMID 26515027 DOI: 10.1002/Jcc.24207 |
0.426 |
|
| 2015 |
Setiawan D, Kraka E, Cremer D. Hidden Bond Anomalies: The Peculiar Case of the Fluorinated Amine Chalcogenides. The Journal of Physical Chemistry. A. 119: 9541-56. PMID 26280987 DOI: 10.1021/Acs.Jpca.5B05157 |
0.458 |
|
| 2015 |
Setiawan D, Kraka E, Cremer D. Strength of the pnicogen bond in complexes involving group Va elements N, P, and As. The Journal of Physical Chemistry. A. 119: 1642-56. PMID 25325889 DOI: 10.1021/Jp508270G |
0.438 |
|
| 2014 |
Kalescky R, Kraka E, Cremer D. Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxation. The Journal of Chemical Physics. 140: 084315. PMID 24588177 DOI: 10.1063/1.4866696 |
0.734 |
|
| 2014 |
Kalescky R, Zou W, Kraka E, Cremer D. Quantitative assessment of the multiplicity of carbon-halogen bonds: carbenium and halonium ions with F, Cl, Br, and I. The Journal of Physical Chemistry. A. 118: 1948-63. PMID 24555526 DOI: 10.1021/Jp4120628 |
0.761 |
|
| 2014 |
Kalescky R, Kraka E, Cremer D. New approach to Tolman's electronic parameter based on local vibrational modes. Inorganic Chemistry. 53: 478-95. PMID 24320732 DOI: 10.1021/Ic4024663 |
0.769 |
|
| 2014 |
Kalescky R, Kraka E, Cremer D. Description of aromaticity with the help of vibrational spectroscopy: anthracene and phenanthrene. The Journal of Physical Chemistry. A. 118: 223-37. PMID 24308602 DOI: 10.1021/Jp4092514 |
0.804 |
|
| 2014 |
Kalescky R, Zou W, Kraka E, Cremer D. Vibrational properties of the isotopomers of the water dimer derived from experiment and computations Australian Journal of Chemistry. 67: 426-434. DOI: 10.1071/Ch13479 |
0.747 |
|
| 2014 |
Setiawan D, Kraka E, Cremer D. Description of pnicogen bonding with the help of vibrational spectroscopy - The missing link between theory and experiment Chemical Physics Letters. 614: 136-142. DOI: 10.1016/J.Cplett.2014.09.030 |
0.538 |
|
| 2014 |
Freindorf M, Sexton T, Kraka E, Cremer D. The mechanism of the cycloaddition reaction of 1,3-dipole molecules with acetylene: An investigation with the unified reaction valley approach Theoretical Chemistry Accounts. 133: 1-18. DOI: 10.1007/S00214-013-1423-Z |
0.319 |
|
| 2014 |
Kalescky R, Kraka E, Cremer D. Are carbon - Halogen double and triple bonds possible? International Journal of Quantum Chemistry. 114: 1060-1072. DOI: 10.1002/Qua.24626 |
0.777 |
|
| 2013 |
Kalescky R, Kraka E, Cremer D. Identification of the strongest bonds in chemistry. The Journal of Physical Chemistry. A. 117: 8981-95. PMID 23927609 DOI: 10.1021/Jp406200W |
0.767 |
|
| 2013 |
Kraka E, Freindorf M, Cremer D. Chiral discrimination by vibrational spectroscopy utilizing local modes. Chirality. 25: 185-96. PMID 23335376 DOI: 10.1002/Chir.22130 |
0.497 |
|
| 2013 |
Zou W, Kalescky R, Kraka E, Cremer D. Relating normal vibrational modes to local vibrational modes: benzene and naphthalene. Journal of Molecular Modeling. 19: 2865-77. PMID 23263358 DOI: 10.1007/S00894-012-1697-4 |
0.762 |
|
| 2013 |
Kalescky R, Kraka E, Cremer D. Local vibrational modes of the formic acid dimer-the strength of the double hydrogen bond Molecular Physics. 111: 1497-1510. DOI: 10.1080/00268976.2013.796070 |
0.796 |
|
| 2012 |
Zou W, Kalescky R, Kraka E, Cremer D. Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme. The Journal of Chemical Physics. 137: 084114. PMID 22938225 DOI: 10.1063/1.4747339 |
0.768 |
|
| 2012 |
Kalescky R, Zou W, Kraka E, Cremer D. Local vibrational modes of the water dimer - Comparison of theory and experiment Chemical Physics Letters. 554: 243-247. DOI: 10.1016/J.Cplett.2012.10.047 |
0.791 |
|
| 2012 |
Freindorf M, Kraka E, Cremer D. A comprehensive analysis of hydrogen bond interactions based on local vibrational modes International Journal of Quantum Chemistry. 112: 3174-3187. DOI: 10.1002/Qua.24118 |
0.546 |
|
| 2010 |
Kraka E, Larsson JA, Cremer D. Generalization of the Badger Rule Based on the Use of Adiabatic Vibrational Modes Computational Spectroscopy: Methods, Experiments and Applications. 105-149. DOI: 10.1002/9783527633272.ch4 |
0.36 |
|
| 2009 |
Kraka E, Cremer D. Characterization of CF bonds with multiple-bond character: bond lengths, stretching force constants, and bond dissociation energies. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 686-98. PMID 19152353 DOI: 10.1002/Cphc.200800699 |
0.511 |
|
| 2009 |
Kraka E, Filatov M, Cremer D. Comparison of gold bonding with mercury bonding Croatica Chemica Acta. 82: 233-243. |
0.396 |
|
| 2008 |
Kraka E, Cremer D. Bonding in mercury-alkali molecules: Orbital-driven van der Waals complexes. International Journal of Molecular Sciences. 9: 926-42. PMID 19325837 DOI: 10.3390/Ijms9060926 |
0.319 |
|
| 2008 |
Cremer D, Kraka E, Filatov M. Bonding in mercury molecules described by the normalized elimination of the small component and coupled cluster theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 2510-21. PMID 19012313 DOI: 10.1002/Cphc.200800510 |
0.461 |
|
| 2008 |
Oomens J, Kraka E, Nguyen MK, Morton TH. Structure, vibrational spectra, and unimolecular dissociation of gaseous 1-fluoro-1-phenethyl cations. The Journal of Physical Chemistry. A. 112: 10774-83. PMID 18831543 DOI: 10.1021/Jp804706Z |
0.312 |
|
| 2004 |
Gräfenstein J, Kraka E, Cremer D. Effect of the self-interaction error for three-electron bonds: On the development of new exchange-correlation functionals Physical Chemistry Chemical Physics. 6: 1096-1112. |
0.334 |
|
| 2003 |
Sanz ME, Antolínez S, Alonso JL, López JC, Kuczkowski RL, Peebles SA, Peebles RA, Boman FC, Kraka E, Cremer D. The microwave spectrum, ab initio analysis, and structure of the fluorobenzene-hydrogen chloride complex Journal of Chemical Physics. 118: 9278-9290. DOI: 10.1063/1.1567714 |
0.305 |
|
| 2002 |
Kraka E, Cremer D, Koller J, Plesničar B. Peculiar structure of the HOOO- anion Journal of the American Chemical Society. 124: 8462-8470. DOI: 10.1021/ja012553v |
0.306 |
|
| 2001 |
Crawford TD, Kraka E, Stanton JF, Cremer D. Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry Journal of Chemical Physics. 114: 10638-10650. DOI: 10.1063/1.1373433 |
0.382 |
|
| 2001 |
Cremer D, Kraka E, He Y. Exact geometries from quantum chemical calculations Journal of Molecular Structure. 567: 275-293. DOI: 10.1016/S0022-2860(01)00560-9 |
0.336 |
|
| 2001 |
Kraka E, He Y, Cremer D. Quantum chemical descriptions of FOOF: The unsolved problem of predicting its equilibrium geometry Journal of Physical Chemistry A. 105: 3269-3276. |
0.325 |
|
| 2001 |
Kraka E, Cremer D. The para-Didehydropyridine, para-Didehydropyridinium, and Related Biradicals - A Contribution to the Chemistry of Enediyne Antitumor Drugs Journal of Computational Chemistry. 22: 216-229. |
0.324 |
|
| 2000 |
Oh JJ, Park I, Wilson RJ, Peebles SA, Kuczkowski RL, Kraka E, Cremer D. Structure of the chlorobenzene-argon dimer: Microwave spectrum and ab initio analysis Journal of Chemical Physics. 113: 9051-9059. DOI: 10.1063/1.1319997 |
0.305 |
|
| 2000 |
Cremer D, Wu A, Larsson A, Kraka E. Some thoughts about bond energies, bond lengths, and force constants Journal of Molecular Modeling. 6: 396-412. |
0.473 |
|
| 1998 |
Cremer D, Larsson JA, Kraka E. New developments in the analysis of vibrational spectra On the use of adiabatic internal vibrational modes Theoretical and Computational Chemistry. 5: 259-327. DOI: 10.1016/S1380-7323(98)80012-5 |
0.443 |
|
| 1997 |
Konkoli Z, Cremer D, Kraka E. Diabatic ordering of vibrational normal modes in reaction valley studies Journal of Computational Chemistry. 18: 1282-1294. |
0.41 |
|
| 1996 |
Kraka E, Konkoli Z, Cremer D, Fowler J, Schaefer HF. Difluorodioxirane: An unusual cyclic peroxide Journal of the American Chemical Society. 118: 10595-10608. DOI: 10.1021/Ja961983W |
0.387 |
|
| 1996 |
Kim SJ, Schaefer HF, Kraka E, Cremer D. Dioxirane vibrational frequencies: An unsettling relationship between theory and experiment Molecular Physics. 88: 93-104. |
0.332 |
|
| 1996 |
Spoerel U, Dreizler H, Stahl W, Kraka E, Cremer D. Intermolecular forces in van der Waals complexes between argon and aromatic molecules: Rotational spectrum and ab initio investigation of isoxazole-argon Journal of Physical Chemistry. 100: 14298-14309. |
0.303 |
|
| 1993 |
Cremer D, Svensson P, Kraka E, Ahlberg P. Exploration of the potential energy surface of C9H9+ by ab initio methods. 1. The barbaralyl cation Journal of the American Chemical Society. 115: 7445-7456. |
0.322 |
|
| 1993 |
Cremer D, Svensson P, Kraka E, Konkoli Z, Ahlberg P. Exploration of the potential energy surface of C9H9+ by ab initio methods. 2. Is the 1,4-bishomotropylium cation a bishomoaromatic prototype? Journal of the American Chemical Society. 115: 7457-7464. |
0.322 |
|
| 1992 |
Kraka E. Homolytic dissociation energies from GVB-LSDC calculations Chemical Physics. 161: 149-153. DOI: 10.1016/0301-0104(92)80183-V |
0.338 |
|
| 1987 |
Curtiss LA, Kraka E, Gauss J, Cremer D. Theoretical investigation of Na and Mg atom complexes with H2O Journal of Physical Chemistry. 91: 1080-1084. |
0.314 |
|
| 1984 |
Cremer D, Kraka E. Chemical Bonds without Bonding Electron Density — Does the Difference Electron‐Density Analysis Suffice for a Description of the Chemical Bond? Angewandte Chemie International Edition in English. 23: 627-628. DOI: 10.1002/Anie.198406271 |
0.339 |
|
| 1983 |
Bader RFW, Slee TS, Cremer D, Kraka E. Description of conjugation and hyperconjugation in terms of electron distributions Journal of the American Chemical Society. 105: 5061-5068. |
0.418 |
|
| 1983 |
Cremer D, Kraka E, Slee TS, Bader RFW, Lau CDH, Nguyen-Dang TT, MacDougall PJ. DESCRIPTION OF HOMOAROMATICITY IN TERMS OF ELECTRON DISTRIBUTIONS Journal of the American Chemical Society. 105: 5069-5075. |
0.338 |
|
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