| Why do cationic carbon monoxide complexes have high C− O stretching force constants and short C− O bonds? Electrostatic effects, not σ-bonding AS Goldman, K Krogh-Jespersen Journal of the American Chemical Society 118 (48), 12159-12166, 1996 | 338 | 1996 |
| Lasing action in a family of perylene derivatives: singlet absorption and emission spectra, triplet absorption and oxygen quenching constants, and molecular mechanics and … M Sadrai, L Hadel, RR Sauers, S Husain, K Krogh-Jespersen, ... The Journal of Physical Chemistry 96 (20), 7988-7996, 1992 | 326 | 1992 |
| Highly effective pincer-ligated iridium catalysts for alkane dehydrogenation. DFT calculations of relevant thermodynamic, kinetic, and spectroscopic properties K Zhu, PD Achord, X Zhang, K Krogh-Jespersen, AS Goldman Journal of the American Chemical Society 126 (40), 13044-13053, 2004 | 311 | 2004 |
| The glycine zwitterion does not exist in the gas phase: results from a detailed ab initio electronic structure study Y Ding, K Krogh-Jespersen Chemical physics letters 199 (3-4), 261-266, 1992 | 260 | 1992 |
| An anisotropic polarizable water model: incorporation of all-atom polarizabilities into molecular mechanics force fields DN Bernardo, Y Ding, K Krogh-Jespersen, RM Levy The Journal of Physical Chemistry 98 (15), 4180-4187, 1994 | 246 | 1994 |
| Charge-transfer absorptions of copper (II)-imidazole and copper (II)-imidazolate chromophores TG Fawcett, EE Bernarducci, K Krogh-Jespersen, HJ Schugar Journal of the American Chemical Society 102 (8), 2598-2604, 1980 | 225 | 1980 |
| Net oxidative addition of C (sp3)-F bonds to iridium via initial CH bond activation J Choi, DY Wang, S Kundu, Y Choliy, TJ Emge, K Krogh-Jespersen, ... Science 332 (6037), 1545-1548, 2011 | 196 | 2011 |
| Aromaticity in small rings containing boron and carbon,((CH) 2 (BH) n, n= 1, 2): comarisons with isoelectronic carbocations. The decisive roles of orbital mixing and nonbonded … K Krogh-Jespersen, D Cremer, JD Dill, JA Pople, PR Schleyer Journal of the American Chemical Society 103 (10), 2589-2594, 1981 | 186 | 1981 |
| Addition of C−H Bonds to the Catalytically Active Complex (PCP)Ir (PCP = η3-2,6-(tBu2PCH2)2C6H3) M Kanzelberger, B Singh, M Czerw, K Krogh-Jespersen, AS Goldman Journal of the American Chemical Society 122 (44), 11017-11018, 2000 | 184 | 2000 |
| Combined computational and experimental study of substituent effects on the thermodynamics of H2, CO, arene, and alkane addition to iridium K Krogh-Jespersen, M Czerw, K Zhu, B Singh, M Kanzelberger, N Darji, ... Journal of the American Chemical Society 124 (36), 10797-10809, 2002 | 174 | 2002 |
| HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site DM Himmel, SG Sarafianos, S Dharmasena, MM Hossain, ... ACS chemical biology 1 (11), 702-712, 2006 | 170 | 2006 |
| Rational design and synthesis of highly active pincer-iridium catalysts for alkane dehydrogenation S Kundu, Y Choliy, G Zhuo, R Ahuja, TJ Emge, R Warmuth, M Brookhart, ... Organometallics 28 (18), 5432-5444, 2009 | 166 | 2009 |
| On the mechanism of (PCP) Ir-catalyzed acceptorless dehydrogenation of alkanes: A combined computational and experimental study K Krogh-Jespersen, M Czerw, N Summa, KB Renkema, PD Achord, ... Journal of the American Chemical Society 124 (38), 11404-11416, 2002 | 156 | 2002 |
| Dimerization of Alkynes Promoted by a Pincer-Ligated Iridium Complex. C− C Reductive Elimination Inhibited by Steric Crowding R Ghosh, X Zhang, P Achord, TJ Emge, K Krogh-Jespersen, AS Goldman Journal of the American Chemical Society 129 (4), 853-866, 2007 | 153 | 2007 |
| Solvent effects on optical absorption spectra: the 1A1. fwdarw. 1A2 transition of formaldehyde in water JT Blair, K Krogh-Jespersen, RM Levy Journal of the American Chemical Society 111 (18), 6948-6956, 1989 | 153 | 1989 |
| Dimethoxycarbene: direct observation of an archetypal nucleophilic carbene RA Moss, M Wlostowski, S Shen, K Krogh-Jespersen, A Matro Journal of the American Chemical Society 110 (13), 4443-4444, 1988 | 153 | 1988 |
| Olefin Isomerization by Iridium Pincer Catalysts. Experimental Evidence for an η3-Allyl Pathway and an Unconventional Mechanism Predicted by DFT Calculations S Biswas, Z Huang, Y Choliy, DY Wang, M Brookhart, K Krogh-Jespersen, ... Journal of the American Chemical Society 134 (32), 13276-13295, 2012 | 145 | 2012 |
| Electronic spectra of copper (II)-imidazole and copper (II)-pyrazole chromophores E Bernarducci, WF Schwindinger, JL Hughey IV, K Krogh-Jespersen, ... Journal of the American Chemical Society 103 (7), 1686-1691, 1981 | 140 | 1981 |
| Evaluating the Thermodynamics of Electrocatalytic N2 Reduction in Acetonitrile BM Lindley, AM Appel, K Krogh-Jespersen, JM Mayer, AJM Miller ACS Energy Letters 1 (4), 698-704, 2016 | 138 | 2016 |
| Structural and energetic features of fully substituted silylenes, disilenes, and silylsilylenes (SiX2, X2SiSiX2, and XSiSiX3; X= lithium, methyl, and fluorine) K Krogh-Jespersen Journal of the American Chemical Society 107 (3), 537-543, 1985 | 137 | 1985 |
