검색결과 : 75건
| No. | Article |
|---|---|
| 1 |
Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl- Oxidation Roos G, Harvey JN Journal of Physical Chemistry B, 125(1), 74, 2021 |
| 2 |
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled Ricciarelli D, Phung QM, Belpassi L, Harvey JN, Belanzoni P Inorganic Chemistry, 58(11), 7345, 2019 |
| 3 |
Rates of Molecular Vibrational Energy Transfer in Organic Solutions Essafi S, Harvey JN Journal of Physical Chemistry A, 122(14), 3535, 2018 |
| 4 |
Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules Daver H, Algarra AG, Rebek J, Harvey JN, Himo F Journal of the American Chemical Society, 140(39), 12527, 2018 |
| 5 |
Theoretical Investigations of the Reactions of N- and O-Containing Species on a C(100):H 2 x 1 Reconstructed Diamond Surface Kelly MW, Halliwell SC, Rodgers WJ, Pattle JD, Harvey JN, Ashfold MNR Journal of Physical Chemistry A, 121(9), 2046, 2017 |
| 6 |
Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase Ranaghan KE, Morris WG, Masgrau L, Senthilkumar K, Johannissen LO, Scrutton NS, Harvey JN, Manby FR, Mulholland AJ Journal of Physical Chemistry B, 121(42), 9785, 2017 |
| 7 |
Quantum Chemical Modeling of Cycloaddition Reaction in a Self-Assembled Capsule Daver H, Harvey JN, Rebek J, Himo F Journal of the American Chemical Society, 139(43), 15494, 2017 |
| 8 |
Dynamical Effects and Product Distributions in Simulated CN plus Methane Reactions Preston TJ, Hornung B, Pandit S, Harvey JN, Orr-Ewing AJ Journal of Physical Chemistry A, 120(27), 4672, 2016 |
| 9 |
How Static Disorder Mimics Decoherence in Anisotropy Pump-Probe Experiments on Purple-Bacteria Light Harvesting Complexes Stross C, Van der Kamp MW, Oliver TAA, Harvey JN, Linden N, Manby FR Journal of Physical Chemistry B, 120(44), 11449, 2016 |
| 10 |
QM/MM-Based Calculations of Absorption and Emission Spectra of LSSmOrange Variants Bergeler M, Mizuno H, Fron E, Harvey JN Journal of Physical Chemistry B, 120(49), 12454, 2016 |