Published in J Phys Chem A on August 26, 2010
On the mechanism of photoinduced dimer dissociation in the plant UVR8 photoreceptor. Proc Natl Acad Sci U S A (2014) 0.81
Dexter energy transfer pathways. Proc Natl Acad Sci U S A (2016) 0.77
Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin. J Comput Chem (2017) 0.75
A QM/MM study of the nature of the entatic state in plastocyanin. J Comput Chem (2016) 0.75
Advances in methods and algorithms in a modern quantum chemistry program package. Phys Chem Chem Phys (2006) 6.51
Beyond Förster resonance energy transfer in biological and nanoscale systems. J Phys Chem B (2009) 1.49
The electronic couplings in electron transfer and excitation energy transfer. Acc Chem Res (2009) 1.15
The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactions. J Chem Phys (2009) 0.97
Constructing diabatic states from adiabatic states: extending generalized Mulliken-Hush to multiple charge centers with boys localization. J Chem Phys (2008) 0.89
The mediated excitation energy transfer: Effects of bridge polarizability. J Chem Phys (2008) 0.87
An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitals. J Chem Phys (2004) 0.85
Electron transport in molecular wire junctions. Science (2003) 2.74
Spectroscopic tracking of molecular transport junctions generated by using click chemistry. Angew Chem Int Ed Engl (2009) 1.62
Exploring local currents in molecular junctions. Nat Chem (2010) 1.48
Molecular electronics: some views on transport junctions and beyond. Proc Natl Acad Sci U S A (2005) 1.36
Rylene and related diimides for organic electronics. Adv Mater (2011) 1.32
Spectroscopic and DFT investigation of [M{HB(3,5-iPr2pz)3}(SC6F5)] (M = Mn, Fe, Co, Ni, Cu, and Zn) model complexes: periodic trends in metal-thiolate bonding. Inorg Chem (2005) 1.24
Making a molecular wire: charge and spin transport through para-phenylene oligomers. J Am Chem Soc (2004) 1.20
Hopping transport in conductive heterocyclic oligomers: reorganization energies and substituent effects. J Am Chem Soc (2005) 1.18
Capillary force in atomic force microscopy. J Chem Phys (2004) 1.11
Nuclear coupling and polarization in molecular transport junctions: beyond tunneling to function. Science (2008) 1.11
Singlet fission for dye-sensitized solar cells: can a suitable sensitizer be found? J Am Chem Soc (2006) 1.09
Multipolar excitation in triangular nanoprisms. J Chem Phys (2005) 1.09
Interface geometry and molecular junction conductance: geometric fluctuation and stochastic switching. Nano Lett (2005) 1.08
Dynamic nature of the intramolecular electronic coupling mediated by a solvent molecule: a computational study. J Am Chem Soc (2004) 1.07
Hysteresis, switching, and negative differential resistance in molecular junctions: a polaron model. Nano Lett (2005) 1.06
Singlet exciton fission for solar cell applications: energy aspects of interchromophore coupling. J Phys Chem B (2009) 1.06
Single molecule electronics: increasing dynamic range and switching speed using cross-conjugated species. J Am Chem Soc (2008) 1.05
Chemical fabrication of heterometallic nanogaps for molecular transport junctions. Nano Lett (2009) 1.04
Effect of bond-length alternation in molecular wires. J Am Chem Soc (2002) 1.03
Conformationally gated switching between superexchange and hopping within oligo-p-phenylene-based molecular wires. J Am Chem Soc (2005) 1.02
Faster interprotein electron transfer in a [myoglobin, b⁵] complex with a redesigned interface. Science (2010) 1.02
Bioactive protein nanoarrays on nickel oxide surfaces formed by dip-pen nanolithography. Angew Chem Int Ed Engl (2004) 1.01
Wire-like charge transport at near constant bridge energy through fluorene oligomers. Proc Natl Acad Sci U S A (2005) 1.01
Inelastic electron tunneling spectroscopy in molecular junctions: peaks and dips. J Chem Phys (2004) 1.01
Molecular rectification in a metal-insulator-metal junction based on self-assembled monolayers. J Am Chem Soc (2002) 1.00
When things are not as they seem: quantum interference turns molecular electron transfer "rules" upside down. J Am Chem Soc (2008) 0.99
Unequal partnership: asymmetric roles of polymeric donor and fullerene acceptor in generating free charge. J Am Chem Soc (2014) 0.98
Understanding quantum interference in coherent molecular conduction. J Chem Phys (2008) 0.98
Tracing electronic pathways in molecules by using inelastic tunneling spectroscopy. Proc Natl Acad Sci U S A (2007) 0.97
Building blocks for N-type molecular and polymeric electronics. Perfluoroalkyl- versus alkyl-functionalized oligothiophenes (nTs; n = 2-6). Systematic synthesis, spectroscopy, electrochemistry, and solid-state organization. J Am Chem Soc (2004) 0.96
Molecular transport junctions: asymmetry in inelastic tunneling processes. J Phys Chem B (2005) 0.96
Between superexchange and hopping: an intermediate charge-transfer mechanism in poly(A)-poly(T) DNA hairpins. J Am Chem Soc (2013) 0.96
Interplay of topology and chemical stability on the electronic transport of molecular junctions. Ann N Y Acad Sci (2002) 0.95
Quantum interference in acyclic systems: conductance of cross-conjugated molecules. J Am Chem Soc (2008) 0.95
Top-down meets bottom-up: dip-pen nanolithography and DNA-directed assembly of nanoscale electrical circuits. Small (2005) 0.95
Novel quantum interference effects in transport through molecular radicals. Nano Lett (2011) 0.95
Absolute rates of hole transfer in DNA. J Am Chem Soc (2005) 0.95
When "small" terms matter: Coupled interference features in the transport properties of cross-conjugated molecules. Beilstein J Nanotechnol (2011) 0.94
Molecular signatures in the transport properties of molecular wire junctions: what makes a junction "molecular"? Small (2006) 0.94
Application of evolutionary algorithm methods to polypeptide folding: comparison with experimental results for unsolvated Ac-(Ala-Gly-Gly)5-LysH+. Proc Natl Acad Sci U S A (2004) 0.94
Strong conductance variation in conformationally constrained oligosilane tunnel junctions. J Phys Chem A (2009) 0.93
Molecular rectifiers: a new design based on asymmetric anchoring moieties. Nano Lett (2015) 0.93
Nonequilibrium steady state transport via the reduced density matrix operator. J Chem Phys (2009) 0.92
Electronic structure and band gaps in cationic heterocyclic oligomers. Multidimensional analysis of the interplay of heteroatoms, substituents, molecular length, and charge on redox and transparency characteristics. J Phys Chem B (2005) 0.92
Effect of structural dynamics on charge transfer in DNA hairpins. J Am Chem Soc (2008) 0.91
Chiral electron transport: scattering through helical potentials. J Chem Phys (2009) 0.91
Propensity rules for inelastic electron tunneling spectroscopy of single-molecule transport junctions. J Chem Phys (2006) 0.90
Synthesis, characterization, and transistor response of semiconducting silole polymers with substantial hole mobility and air stability. Experiment and theory. J Am Chem Soc (2008) 0.89
Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions. J Am Chem Soc (2013) 0.89
Constructing diabatic states from adiabatic states: extending generalized Mulliken-Hush to multiple charge centers with boys localization. J Chem Phys (2008) 0.89
Redox equilibria in hydroxylamine oxidoreductase. Electrostatic control of electron redistribution in multielectron oxidative processes. Biochemistry (2005) 0.89
How narrow can a meniscus be? Phys Rev Lett (2004) 0.89
Molecular conduction through adlayers: cooperative effects can help or hamper electron transport. Nano Lett (2011) 0.89
Ion current calculations based on three dimensional Poisson-Nernst-Planck theory for a cyclic peptide nanotube. J Phys Chem B (2006) 0.89
Steered molecular dynamics studies of the potential of mean force of a Na+ or K+ ion in a cyclic peptide nanotube. J Phys Chem B (2006) 0.88
Signatures of cooperative effects and transport mechanisms in conductance histograms. Nano Lett (2012) 0.88
Intersystem crossing mediated by photoinduced intramolecular charge transfer: julolidine-anthracene molecules with perpendicular pi systems. J Phys Chem A (2008) 0.88
Maximizing singlet fission in organic dimers: theoretical investigation of triplet yield in the regime of localized excitation and fast coherent electron transfer. J Phys Chem B (2010) 0.87
Molecules as wires: molecule-assisted movement of charge and energy. Top Curr Chem (2005) 0.87
Switching in molecular transport junctions: polarization response. J Am Chem Soc (2007) 0.87
An agent-based approach for modeling molecular self-organization. Proc Natl Acad Sci U S A (2004) 0.87
Crossover from single-step tunneling to multistep hopping for molecular triplet energy transfer. Science (2010) 0.87
Understanding coherent transport through π-stacked systems upon spatial dislocation. J Phys Chem B (2010) 0.86
Nanoscale Chemical Imaging of a Dynamic Molecular Phase Boundary with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy. Nano Lett (2016) 0.86
Electron tunneling through sensitizer wires bound to proteins. Coord Chem Rev (2010) 0.86
A general formulation for magnetic exchange coupling within long-distance radical ion pairs. J Chem Phys (2005) 0.86
Hole mobility in DNA: effects of static and dynamic structural fluctuations. Chemphyschem (2002) 0.85
The chameleonic nature of electron transport through pi-stacked systems. J Am Chem Soc (2010) 0.85
n-channel polymers by design: optimizing the interplay of solubilizing substituents, crystal packing, and field-effect transistor characteristics in polymeric bithiophene-imide semiconductors. J Am Chem Soc (2008) 0.85
Organic radicals as spin filters. J Am Chem Soc (2010) 0.85
Electron transfer in multiply bridged donor-acceptor molecules: Dephasing and quantum coherence. J Phys Chem B (2006) 0.85
Enhanced energy storage and suppressed dielectric loss in oxide core-shell-polyolefin nanocomposites by moderating internal surface area and increasing shell thickness. Adv Mater (2012) 0.85
Raman scattering in current-carrying molecular junctions. J Chem Phys (2009) 0.85
Vapor phase self-assembly of molecular gate dielectrics for thin film transistors. J Am Chem Soc (2008) 0.85
Photoinitiated charge transport through pi-stacked electron conduits in supramolecular ordered assemblies of donor-acceptor triads. J Am Chem Soc (2009) 0.85
Bithiopheneimide-dithienosilole/dithienogermole copolymers for efficient solar cells: information from structure-property-device performance correlations and comparison to thieno[3,4-c]pyrrole-4,6-dione analogues. J Am Chem Soc (2012) 0.84
Single molecule electron transport junctions: charging and geometric effects on conductance. J Chem Phys (2006) 0.84
Effects of hydration on molecular junction transport. Nat Mater (2006) 0.84
Electron transport through conjugated molecules: when the pi system only tells part of the story. Chemphyschem (2009) 0.84
Intermolecular charge transfer between heterocyclic oligomers. Effects of heteroatom and molecular packing on hopping transport in organic semiconductors. J Am Chem Soc (2005) 0.84
Controlling electron transfer in donor-bridge-acceptor molecules using cross-conjugated bridges. J Am Chem Soc (2010) 0.84
Raman scattering from nonequilibrium molecular conduction junctions. Nano Lett (2009) 0.84
The influence of guanine on DNA hole transport efficiency. Angew Chem Int Ed Engl (2008) 0.84
Molecular transport junctions: Propensity rules for inelastic electron tunneling spectra. Nano Lett (2006) 0.84
DNA base pair stacks with high electric conductance: a systematic structural search. ACS Nano (2012) 0.84
Impact of a single base pair substitution on the charge transfer rate along short DNA hairpins. Proc Natl Acad Sci U S A (2013) 0.83
Mesoscopic features of charge generation in organic semiconductors. Acc Chem Res (2014) 0.83
Mechanical bond-induced radical stabilization. J Am Chem Soc (2012) 0.83
Interfering pathways in benzene: an analytical treatment. J Chem Phys (2009) 0.83
Rational design of [Co(acacen)L2]+ inhibitors of protein function. Dalton Trans (2013) 0.83
Structural optimization of Zn(II)-activated magnetic resonance imaging probes. Inorg Chem (2013) 0.83
Reversible bridge-mediated excited-state symmetry breaking in stilbene-linked DNA dumbbells. J Phys Chem B (2008) 0.82
Contact electrification between identical materials. Angew Chem Int Ed Engl (2010) 0.82
Effect of GC base pairs on charge transfer through DNA hairpins: the importance of electrostatic interactions. J Am Chem Soc (2009) 0.81
Molecular transport junctions: current from electronic excitations in the leads. Phys Rev Lett (2006) 0.81
Hydrophobic dimerization and thermal dissociation of perylenediimide-linked DNA hairpins. J Am Chem Soc (2009) 0.81