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Itai Ryb and Roi Baer- Combinatorial invariants and covariants as tools for conical intersections

Tamar Stein, Leeor Kronik and Roi Baer- Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory

Roi Baer and Eran Rabani- Can impact excitation explain efficient carrier multiplication in carbon nanotube photodiodes?

Roi Baer et al- Ionization and high-order harmonic generation in aligned benzene by a short intense circularly polarized laser pulse

Roi Baer and Daniel Neuhauser- Ab Initio Electrical Conductance of a Molecular Wire

Helen R. Eisenberg and Roi Baer- A new generalized Kohn–Sham method for fundamental band-gaps in solids

Sivan Refaely-Abramson, Roi Baer and Leeor Kronik- Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional

Roi Baer, Ester Livshits and Ulrike Salzner- Tuned Range-Separated Hybrids in Density Functional Theory

Ester Livshits, Roi Baer and Ronnie Kosloff- Deleterious Effects of Long-Range Self-Repulsion on the Density Functional Description of O2 Sticking on Aluminum

Roi Baer et al- Ab-initio study of the AC impedance of a molecular junction

Oded Hod, Eran Rabani and Roi Baer- Magnetoresistance devices based on single-walled carbon nanotubes

Ester Livshits and Roi Baer- A Density Functional Theory for Symmetric Radical Cations from Bonding to Dissociation

Oded Hod, Roi Baer and Eran Rabani- A Parallel Electromagnetic Molecular Logic Gate

Kenneth Lopata and Daniel Neuhauser- Curve Crossing and Negative Refraction in Simulations of Near-Field Coupled Metallic Nanoparticle Arrays

Joseph A. Letizia et al- n-Channel Polymers by Design

Gemma C. Solomon et al- When Things Are Not as They Seem

Ruth A. Schlitz et al- Weibull Analysis of Dielectric Breakdown in a Self-Assembled Nanodielectric for Organic Transistors

Johannes S. Seldenthuis et al- Vibrational Excitations in Weakly Coupled Single-Molecule Junctions

Joseph A. Letizia et al- Variable Temperature Mobility Analysis of n-Channel, p-Channel, and Ambipolar Organic Field-Effect Transistors

Sara A. DiBenedetto et al- Vapor Phase Self-Assembly of Molecular Gate Dielectrics for Thin Film Transistors

Randall H. Goldsmith et al- Unexpectedly Similar Charge Transfer Rates through Benzo-Annulated Bicyclo[2.2.2]octanes

Gemma C. Solomon et al- Understanding quantum interference in coherent molecular conduction

Matthew G. Reuter et al- Understanding and Controlling Crosstalk between Parallel Molecular Wires

Gemma C. Solomon et al- Understanding Coherent Transport through π-Stacked Systems upon Spatial Dislocation

Emilie M. Giacobbe et al- Ultrafast Intersystem Crossing and Spin Dynamics of Photoexcited Perylene-3,4:9,10-bis(dicarboximide) Covalently Linked to a Nitroxide Radical at Fixed Distances

Yiliang Wang et al- Twisted π-Electron System Electrooptic Chromophores. Structural and Electronic Consequences of Relaxing Twist-Inducing Nonbonded Repulsions

Ignacio Franco et al- Tunneling Currents That Increase with Molecular Elongation

Shane McDermott et al- Tunnel Currents across Silane Diamines/Dithiols and Alkane Diamines/Dithiols

Sina Yeganeh et al- Transport in State Space

Alessandro Troisi et al- Tracing electronic pathways in molecules by using inelastic tunneling spectroscopy

Andrew F. Schwerin et al- Toward Designed Singlet Fission

Qixi Mi, Mark A. Ratner and Michael R. Wasielewski- Time-Resolved EPR Spectra of Spin-Correlated Radical Pairs

Hanning Chen, Mark A. Ratner and George C. Schatz- Time-Dependent Theory of the Rate of Photo-Induced Electron Transfer

Rocio Ponce Ortiz et al- Thiophene–Diazine Molecular Semiconductors

Hanning Chen, Mark A. Ratner and George C. Schatz- Theoretical Calculation of the Photo-Induced Electron Transfer Rate Between a Gold Atom and a Gold Cation Solvated in CCl(4)

Michael Galperin, Abraham Nitzan and Mark A Ratner- The non-linear response of molecular junctions

Kristian O. Sylvester-Hvid et al- The Iterative Self-Consistent Reaction-Field Method

Gemma C. Solomon et al- The Chameleonic Nature of Electron Transport Through Pi-Stacked Systems

Gang Lu et al- Synthesis, Characterization, and Transistor Response of Semiconducting Silole Polymers with Substantial Hole Mobility and Air Stability. Experiment and Theory

Sara A. DiBenedetto et al- Structure-Performance Correlations in Vapor Phase Deposited Self-Assembled Nanodielectrics for Organic Field-Effect Transistors

Michael D. Irwin et al- Structural and Electrical Functionality of NiO Interfacial Films in Bulk Heterojunction Organic Solar Cells

Christopher B. George, Mark A. Ratner and Joseph B. Lambert- Strong Conductance Variation in Conformationally Constrained Oligosilane Tunnel Junctions

Gil Katz, David Gelman, Mark A. Ratner and Ronnie Kosloff- Stochastic surrogate Hamiltonian

David Q. Andrews et al- Stochastic Modulation in Molecular Electronic Transport Junctions

S. N. Yaliraki et al- Stability and phase separation in mixed self-assembled monolayers

Xiaodong Chen et al- Spectroscopic Tracking of Molecular Transport Junctions Generated by Using Click Chemistry

Fredrick Michael et al- Size dependence of ferromagnetism in gold nanoparticles

Eric C. Greyson et al- Singlet Exciton Fission for Solar Cell Applications

David Q. Andrews et al- Single molecule electron transport junctions