Christopher J. Cramer

Papers authored by Christopher J. Cramer

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2012 Mehmed Z. Ertem, Laura Gagliardi, Christopher J. Cramer

Quantum chemical characterization of the mechanism of an iron-based water oxidation catalyst

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Yannick Jeanvoine, Pere Mirò, Fausto Martelli, Christopher J. Cramer

, Riccardo Spezia

Electronic Structure and Bonding of Lanthanoid(III) Carbonates.

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2011 Patrick J. Donoghue, Jacqui Tehranchi, Christopher J. Cramer

, Ritimukta Sarangi, Edward I. Solomon, William B. Tolman

Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex

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Gregory S. Huff, Irina S. Doncheva, David W. Brinkley, Alfredo M. Angeles Boza

, Arnab Mukherjee, Christopher J. Cramer

, Justine P. Roth

Experimental and Computational Investigations of Oxygen Reactivity in a Heme and Tyrosyl Radical-Containing Fatty Acid α-(Di)oxygenase

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Eric J. Olson, Teng T. Xiong, Christopher J. Cramer

, Philippe Bühlmann

Interaction of a Weakly Acidic Dinitroaromatic with Alkylamines: Avoiding the Meisenheimer Trap

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Bess Vlaisavljevich

, Pere Miró, Christopher J. Cramer

, Laura Gagliardi, Ivan Infante, Stephen T. Liddle

On the Nature of Actinide- and Lanthanide-Metal Bonds in Heterobimetallic Compounds

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Marita Skarpeli-Liati, Martin Jiskra, Aurora Turgeon, Ashley N. Garr, William A. Arnold, Christopher J. Cramer

, René P. Schwarzenbach, Thomas B. Hofstetter

Using Nitrogen Isotope Fractionation to Assess the Oxidation of Substituted Anilines by Manganese Oxide

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Elodie E. Marlier, Daniel Sadowsky, Christopher J. Cramer

, Kristopher McNeill

Metal ion size and coordination mode in complexes of a β-diketiminate ligand with pendant quinoline arms

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Marita Skarpeli-Liati, Aurora Turgeon, Ashley N. Garr, William A. Arnold, Christopher J. Cramer

, Thomas B. Hofstetter

pH-Dependent Equilibrium Isotope Fractionation Associated with the Compound Specific Nitrogen and Carbon Isotope Analysis of Substituted Anilines by SPME-GC/IRMS

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Elizabeth L. Smith, Daniel Sadowsky, Christopher J. Cramer

, James A. Phillips

Structure, Bonding, and Energetic Properties of Nitrile-Borane Complexes: RCN-BH3

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Raphael F. Ribeiro, Aleksandr V. Marenich, Christopher J. Cramer

, Donald G. Truhlar

The solvation, partitioning, hydrogen bonding, and dimerization of nucleotide bases: a multifaceted challenge for quantum chemistry

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Aleksandr V. Marenich, Christopher J. Cramer

, Donald G. Truhlar

, Ciro A. Guido, Benedetta Mennucci

, Giovanni Scalmani, Michael J. Frisch

Practical computation of electronic excitation in solution: Vertical excitation model

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Nora Planas, Takashi Ono, Lydia Vaquer, Pere Miró, Jordi Benet-Buchholz, Laura Gagliardi, Christopher J. Cramer

, Antoni Llobet

Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes

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Tetsuro Tano, Mehmed Z. Ertem, Satoru Yamaguchi, Atsushi Kunishita, Hideki Sugimoto, Nobutaka Fujieda, Takashi Ogura, Christopher J. Cramer

, Shinobu Itoh

Reactivity of copper(II)-alkylperoxo complexes

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2010 Cameron Jones, Christian Schulten, Lea Fohlmeister, Andreas Stasch

, Keith S. Murray, Boujemaa Moubaraki, Stuart Kohl, Mehmed Z. Ertem, Laura Gagliardi, Christopher J. Cramer

Bulky Guanidinato Nickel(I) Complexes: Synthesis, Characterization, Isomerization, and Reactivity Studies

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Patrick J. Donoghue, Aalo K. Gupta, David W. Boyce, Christopher J. Cramer

, William B. Tolman

An Anionic, Tetragonal Copper(II) Superoxide Complex

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Xavier Sala, Mehmed Z. Ertem, Laura Vigara, Tanya K. Todorova, Weizhong Chen, Reginaldo C. Rocha, Francesco Aquilante, Christopher J. Cramer

, Laura Gagliardi, Antoni Llobet

The cis-[RuII(bpy)2(H2O)2]2+ Water-Oxidation Catalyst Revisited

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Aleksandr V. Marenich, Christopher J. Cramer

, Donald G. Truhlar

Sorting Out the Relative Contributions of Electrostatic Polarization, Dispersion, and Hydrogen Bonding to Solvatochromic Shifts on Vertical Electronic Excitation Energies

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Jan G. Wiederhold

, Christopher J. Cramer

, Kelly Daniel, Ivan Infante, Bernard Bourdon, Ruben Kretzschmar

Equilibrium Mercury Isotope Fractionation between Dissolved Hg(II) Species and Thiol-Bound Hg

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Raphael F. Ribeiro, Aleksandr V. Marenich, Christopher J. Cramer

, Donald G. Truhlar

Prediction of SAMPL2 aqueous solvation free energies and tautomeric ratios using the SM8, SM8AD, and SMD solvation models

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Papers authored by Christopher J. Cramer