Cold denaturation induces inversion of dipole and spin transfer in chiral peptide monolayers

Spintronics and Chirality: Spin Selectivity in Electron Transport Through Chiral Molecules

(2015) Ron Naaman et al.   Annual Review of Physical Chemistry

Spin Filtering in Electron Transport Through Chiral Oligopeptides

(2015) M. Kettner et al.   Journal of Physical Chemistry C

Electronic Transport via Homopeptides: The Role of Side Chains and Secondary Structure

(2015) Lior Sepunaru et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Delocalization Error and “Functional Tuning” in Kohn–Sham Calculations of Molecular Properties

(2014) Jochen Autschbach et al.   ACCOUNTS OF CHEMICAL RESEARCH

Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals

(2014) Thomas Körzdörfer et al.   ACCOUNTS OF CHEMICAL RESEARCH

Spin Selectivity in Electron Transfer in Photosystem I

(2014) Itai Carmeli et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional

(2014) David A. Egger et al.   Journal of Chemical Theory and Computation

Local Light-Induced Magnetization Using Nanodots and Chiral Molecules

(2014) Oren Ben Dor et al.   NANO LETTERS

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms

(2014) C. Faber et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Spin-dependent electron transport in protein-like single-helical molecules

(2014) A.-M. Guo et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations

(2013) Roberto C. Longo et al.   ADVANCED FUNCTIONAL MATERIALS

The first decade of organic spintronics research

(2013) Dali Sun et al.   CHEMICAL COMMUNICATIONS

Electrostatic considerations affecting the calculated HOMO–LUMO gap in protein molecules

(2013) Greg Lever et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals

(2012) Leeor Kronik et al.   Journal of Chemical Theory and Computation

Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases

(2012) Michael E. Foster et al.   Journal of Chemical Theory and Computation

Exciton Spin Relaxation in Colloidal CdSe Quantum Dots at Room Temperature

(2012) Hong Ma et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Chiral-Induced Spin Selectivity Effect

(2012) R. Naaman et al.   Journal of Physical Chemistry Letters

Difficulties in applying pure Kohn–Sham density functional theory electronic structure methods to protein molecules

(2012) Elias Rudberg   JOURNAL OF PHYSICS-CONDENSED MATTER

Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units

(2012) Ferdinand Rissner et al.   ORGANIC ELECTRONICS

Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional

(2012) Sivan Refaely-Abramson et al.   PHYSICAL REVIEW LETTERS

Spin-Selective Transport of Electrons in DNA Double Helix

(2012) Ai-Min Guo et al.   PHYSICAL REVIEW LETTERS

The molecular level modification of surfaces: from self-assembled monolayers to complex molecular assemblies

(2011) J. Justin Gooding et al.   CHEMICAL SOCIETY REVIEWS

Collectively Induced Quantum-Confined Stark Effect in Monolayers of Molecules Consisting of Polar Repeating Units

(2011) Ferdinand Rissner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional

(2011) Sivan Refaely-Abramson et al.   PHYSICAL REVIEW B

Spin Selectivity in Electron Transmission Through Self-Assembled Monolayers of Double-Stranded DNA

(2011) B. Gohler et al.   SCIENCE

Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method

(2010) Tamar Stein et al.   PHYSICAL REVIEW LETTERS

Exciton Fine Structure and Spin Relaxation in Semiconductor Colloidal Quantum Dots

(2009) Jeongho Kim et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electrical Transport and Photoemission Experiments of Alkylphosphonate Monolayers on GaAs

(2009) Hagay Shpaisman et al.   Journal of Physical Chemistry C

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Spin transfer torques

(2008) D.C. Ralph et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS

Grafting of molecular layers to oxidized gallium nitride surfaces via phosphonic acid linkages

(2008) Heesuk Kim et al.   SURFACE SCIENCE