Related references
Note: Only part of the references are listed.Influence of Structural Fluctuations, Proton Transfer, and Electric Field on Polarization Switching of Supported Two-Dimensional Hydrogen-Bonded Oxocarbon Monolayers
Shuang Chen et al.
CHEMISTRY OF MATERIALS (2015)
Polarization Effect and Electric Potential Changes in the Stimuli-Responsive Molecular Monolayers Under an External Electric Field
Jun Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Subnanoscale hydrophobic modulation of salt bridges in aqueous media
Shuo Chen et al.
SCIENCE (2015)
Exciton dynamics reveal aggregates with intermolecular order at hidden interfaces in solution-cast organic semiconducting films
Cathy Y. Wong et al.
NATURE COMMUNICATIONS (2015)
Polarizable Force Fields Based on Physical Models and Quantum Chemical Calculations
Xingyong Wang et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
LSQC: Low Scaling Quantum Chemistry Program
Wei Li et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
Accurate Prediction of Lattice Energies and Structures of Molecular Crystals with Molecular Quantum Chemistry Methods
Tao Fang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Dynamic simulations of stimuli-responsive switching of azobenzene derivatives in self-assembled monolayers: reactive rotation potential and switching functions
Ziqi Tian et al.
MOLECULAR SIMULATION (2015)
Generalized Energy-Based Fragmentation Approach and Its Applications to Macromolecules and Molecular Aggregates
Shuhua Li et al.
ACCOUNTS OF CHEMICAL RESEARCH (2014)
Surface Molecular Tailoring Using pH-Switchable Supramolecular Dendron-Ligand Assemblies
Parvez Iqbal et al.
ACS APPLIED MATERIALS & INTERFACES (2014)
TiO2-Assisted Photoisomerization of Azo Dyes Using Self-Assembled Monolayers: Case Study on para-Methyl Red Towards Solar-Cell Applications
Lei Zhang et al.
ACS APPLIED MATERIALS & INTERFACES (2014)
Kagome-like lattice of π-π stacked 3-hydroxyphenalenone on Cu(111)
S. Beniwal et al.
CHEMICAL COMMUNICATIONS (2014)
Theoretical design of visible light driven azobenzene-based photo-switching molecules
Juan Pang et al.
CHEMICAL PHYSICS LETTERS (2014)
From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation
Zhigang Shuai et al.
CHEMICAL SOCIETY REVIEWS (2014)
Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model
Jing Huang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
An Electrochemically Switched Smart Surface for Peptide Immobilization and Conformation Control
Jun Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Self-Assembly of Collagen on Flat Surfaces: The Interplay of Collagen-Collagen and Collagen-Substrate Interactions
Badri Narayanan et al.
LANGMUIR (2014)
Ultra stable self-assembled monolayers of N-heterocyclic carbenes on gold
Cathleen M. Crudden et al.
NATURE CHEMISTRY (2014)
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
Jun Yang et al.
SCIENCE (2014)
Modulation of Biointeractions by Electrically Switchable Oligopeptide Surfaces: Structural Requirements and Mechanism
Chun L. Yeung et al.
ADVANCED MATERIALS INTERFACES (2014)
Cellular nanotechnology: making biological interfaces smarter
Paula M. Mendes
CHEMICAL SOCIETY REVIEWS (2013)
Reactive molecular dynamics simulations of switching processes of azobenzene-based monolayer on surface
Ziqi Tian et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Exploring the Possibility of Noncovalently Surface Bound Molecular Quantum-Dot Cellular Automata: Theoretical Simulations of Deposition of Double-Cage Fluorinated Fullerenes on Ag(100) Surface
Xingyong Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Light- and Electric-Field-Induced Switching of Thiolated Azobenzene Self-Assembled Monolayer
Jin Wen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Rhodizonic Acid on Noble Metals: Surface Reactivity and Coordination Chemistry
Donna A. Kunkel et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Proton transfer in surface-stabilized chiral motifs of croconic acid
Donna A. Kunkel et al.
PHYSICAL REVIEW B (2013)
Electrically Induced Conformational Change of Peptides on Metallic Nanosurfaces
Yi Chen et al.
ACS NANO (2012)
Understanding the effect of ferroelectric polarization on power conversion efficiency of organic photovoltaic devices
Yongbo Yuan et al.
ENERGY & ENVIRONMENTAL SCIENCE (2012)
Substituent effects on packing entropy and film morphologies in the nucleation of functionalized pentacenes on SiO2 substrate: Molecular dynamics simulations
Shuang Chen et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
The embedded many-body expansion for energetics of molecular crystals
P. J. Bygrave et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Solvent Effects on Isomerization and Spectral Properties of Photochromic-Switching Diarythene Derivatives in Polar and Apolar Solutions
Suci Meng et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Modulating Morphology of Thiol-Based Monolayers in Honeycomb Hydrogen-Bonded Nanoporous Templates on the Au(111) Surface: Simulations with the Modified Force Field
Jin Wen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Photo-responsive carbon nanomaterials functionalized by azobenzene moieties: structures, properties and application
Wei Feng et al.
NANOSCALE (2012)
Practical quantum mechanics-based fragment methods for predicting molecular crystal properties
Shuhao Wen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
An X-Y Addressable Matrix Odor-Releasing System Using an On-Off Switchable Device
Hyunsu Kim et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Orientational prewetting of planar solid substrates by a model liquid crystal
Manuel Greschek et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Large-Scale, Long-Term Nonadiabatic Electron Molecular Dynamics for Describing Material Properties and Phenomena in Extreme Environments
Andres Jaramillo-Botero et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Effects of External Electric Field and Self-Aggregations on Conformational Transition and Optical Properties of Azobenzene-Based D-π-A Type Chromophore in THF Solution
Zeyu Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Columnarly Assembled Liquid-Crystalline Peptidic Macrocycles Unidirectionally Orientable over a Large Area by an Electric Field
Kohei Sato et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
In situ Electrical Characterization of the Thickness Dependence of Organic Field-Effect Transistors with 1-20 Molecular Mono layer of Pentacene
Shun-Wei Liu et al.
ACS APPLIED MATERIALS & INTERFACES (2010)
Tuning Specific Biomolecular Interactions Using Electro-Switchable Oligopeptide Surfaces
Chun L. Yeung et al.
ADVANCED FUNCTIONAL MATERIALS (2010)
Non-equilibrium molecular dynamics study of thermal energy transport in Au-SAM-Au junctions
Tengfei Luo et al.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2010)
DFT study of linear and nonlinear optical properties of donor-acceptor substituted stilbenes, azobenzenes and benzilideneanilines
Przemyslaw Krawczyk
JOURNAL OF MOLECULAR MODELING (2010)
An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large Molecules
Shugui Hua et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Control of Two-Dimensional Ordering of F16CuPc on Bi/Ag(111): Effect of Interfacial Interactions
Kelvin Hong Liang Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Predicting Organic Crystal Lattice Energies with Chemical Accuracy
Gregory J. O. Beran et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Oligothiophene Template Effects on Packings and Orientations of C60 Molecules on Ag(111) Surface
Jin Wen et al.
LANGMUIR (2010)
Scanning Tunneling Microscopy Investigation of Self-Assembled CuPc/F16CUPc Binary Superstructures on Graphite
Yu Li Huang et al.
LANGMUIR (2010)
Multiscale study of charge mobility of organic semiconductor with dynamic disorders
Linjun Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
The influence of orientations and external electric field on charge carrier mobilities in CuPc and F16CuPc films on highly ordered pyrolytic graphite and octane-1-thiol terminated Au(111) substrates
Shuang Chen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer
Yue Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Tunable Two-Dimensional Binary Molecular Networks
Yu Li Huang et al.
SMALL (2010)
Printable Ferroelectric PVDF/PMMA Blend Films with Ultralow Roughness for Low Voltage Non-Volatile Polymer Memory
Seok Ju Kang et al.
ADVANCED FUNCTIONAL MATERIALS (2009)
Stimuli-responsive interfaces and systems for the control of protein-surface and cell-surface interactions
Martin A. Cole et al.
BIOMATERIALS (2009)
Orientation-controlled charge transfer at CuPc/F16CuPc interfaces
Wei Chen et al.
JOURNAL OF APPLIED PHYSICS (2009)
Cis-trans isomerization mechanism of 4-aminoazobenzene in the S0 and S1 states: A CASSCF and DFT study
Luoxin Wang et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2009)
Quantum Chemical Investigation of Thermal Cis-to-Trans Isomerization of Azobenzene Derivatives: Substituent Effects, Solvent Effects, and Comparison to Experimental Data
Jadranka Dokic et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
THE ROLE OF SUBSTRATE IN PACKING STRUCTURES OF SEXITHIOPHENES ON AG (111) SURFACE: MOLECULAR DYNAMICS SIMULATIONS AND QUANTUM CHEMICAL CALCULATIONS
Jin Wen et al.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2009)
Controlled solution deposition and systematic study of charge-transport anisotropy in single crystal and single-crystal textured TIPS pentacene thin films
Jihua Chen et al.
ORGANIC ELECTRONICS (2009)
Light-powered electrical switch based on cargo-lifting azobenzene monolayers
Violetta Ferri et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Stimuli-responsive surfaces for bio-applications
Paula M. Mendes
CHEMICAL SOCIETY REVIEWS (2008)
Multiscale methods for macromolecular simulations
Paul Sherwood et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2008)
Fast electron-correlation methods for molecular crystals: An application to the α, β1, and β2 modifications of solid formic acid
So Hirata
JOURNAL OF CHEMICAL PHYSICS (2008)
Magnetic Quantum-dot Cellular Automata: Recent developments and prospects
A. Orlov et al.
JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS (2008)
Geometry Optimizations and Vibrational Spectra of Large Molecules from a Generalized Energy-Based Fragmentation Approach
Weijie Hua et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Two-particle entropy and structural ordering in liquid water
Jan Zielkiewicz
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Two-dimensional pentacene:3,4,9,10-perylenetetracarboxylic dianhydride supramolecular chiral networks on Ag(111)
Wei Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Functionalizing hydrogen-bonded surface networks with self-assembled monolayers
Rafael Madueno et al.
NATURE (2008)
Thickness-dependent structural evolutions and growth models in relation to carrier transport properties in polycrystalline pentacene thin films
Horng-Long Cheng et al.
ADVANCED FUNCTIONAL MATERIALS (2007)
Nucleation and growth mechanism of ferroelectric domain-wall motion
Young-Han Shin et al.
NATURE (2007)
Ab initio energies of nonconducting crystals by systematic fragmentation
Heather M. Netzloff et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Creating ultrathin nanoscopic collagen matrices for biological and biotechnological applications
David A. Cisneros et al.
SMALL (2007)
Morphology and molecular orientation of thin-film bis(triisopropylsilylethynyl) pentacene
Jihua Chen et al.
JOURNAL OF MATERIALS RESEARCH (2007)
Generalized energy-based fragmentation approach for computing the ground-state energies and properties of large molecules
Wei Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Organic/metal interfaces in self-assembled monolayers of conjugated thiols:: A first-principles benchmark study
Georg Heimel et al.
SURFACE SCIENCE (2006)
Nature designs tough collagen: Explaining the nanostructure of collagen fibrils
Markus J. Buehler
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Reversible nanometer-scale data storage on a self-assembled, organic, crystalline thin film
Yongqiang Wen et al.
ADVANCED MATERIALS (2006)
Work functions of self-assembled monolayers on metal surfaces by first-principles calculations
Paul C. Rusu et al.
PHYSICAL REVIEW B (2006)
Theoretical study of the isomerization mechanism of azobenzene and disubstituted azobenzene derivatives
Christina R. Crecca et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
An elongation method for first principle simulations of electronic structures and electron transport properties of finite nanostructures
Jun Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Entropy-based measure of structural order in water
R Esposito et al.
PHYSICAL REVIEW E (2006)
Electrostatic field-adapted molecular fractionation with conjugated caps for energy calculations of charged biomolecules
N Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Multiparadigm modeling of dynamical crack propagation in silicon using a reactive force field
MJ Buehler et al.
PHYSICAL REVIEW LETTERS (2006)
Electron transport in self-assembled polymer molecular junctions
WP Hu et al.
PHYSICAL REVIEW LETTERS (2006)
Single-reference ab initio methods for the calculation of excited states of large molecules
A Dreuw et al.
CHEMICAL REVIEWS (2005)
Attracted by long-range electron correlation: Adenine on graphite
F Ortmann et al.
PHYSICAL REVIEW LETTERS (2005)
Physics of thin-film ferroelectric oxides
M Dawber et al.
REVIEWS OF MODERN PHYSICS (2005)
1H NMR spectral evidence for a specific host-guest complexation induced charge localization in squaraine dyes
A Ajayaghosh et al.
ORGANIC LETTERS (2005)
Thickness dependence of mobility in pentacene thin-film transistors
R Ruiz et al.
ADVANCED MATERIALS (2005)
An efficient fragment-based approach for predicting the ground-state energies and structures of large molecules
SH Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Thickness-driven orthorhombic to triclinic phase transformation in pentacene thin films
LF Drummy et al.
ADVANCED MATERIALS (2005)
Self-assembled monolayers of thiolates on metals as a form of nanotechnology
JC Love et al.
CHEMICAL REVIEWS (2005)
High-performance solution-processed polymer ferroelectric field-effect transistors
RCG Naber et al.
NATURE MATERIALS (2005)
Structures and properties of self-assembled monolayers of bistable [2]rotaxanes on Au(111) surfaces from molecular dynamics simulations validated with experiment
SS Jang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Two-dimensional self-assembly into multicomponent hydrogen-bonded nanostructures
S De Feyter et al.
NANO LETTERS (2005)
On the mechanism of the cis-trans isomerization in the lowest electronic states of azobenzene:: S0, S1, and T1
A Cembran et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Growth of aromatic molecules on solid substrates for applications in organic electronics
G Witte et al.
JOURNAL OF MATERIALS RESEARCH (2004)
Equation of state of a dense columnar liquid crystal
HH Wensink
PHYSICAL REVIEW LETTERS (2004)
The photoisomerization mechanism of azobenzene: A semiclassical simulation of nonadiabatic dynamics
C Ciminelli et al.
CHEMISTRY-A EUROPEAN JOURNAL (2004)
Two-dimensional supramolecular self-assembly probed by scanning tunneling microscopy
S De Feyter et al.
CHEMICAL SOCIETY REVIEWS (2003)
Photochemically induced birefringence in polyurethanes containing donor-acceptor azobenzenes as photoresponsive moieties
M Hasegawa et al.
JOURNAL OF APPLIED POLYMER SCIENCE (2002)
Supramolecular assemblies of trimesic acid on a Cu(100) surface
A Dmitriev et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Reversible solid-state interconversion of rhodizonic acid H2C6O6 into H6C6O8 and the solid-state structure of the rhodizonate dianion C6O62- (aromatic or non-aromatic?)
D Braga et al.
NEW JOURNAL OF CHEMISTRY (2001)
Functionalized pentacene: Improved electronic properties from control of solid-state order
JE Anthony et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Interaction between monomeric units of donor-acceptor-funcaionalized azobenzene dendrimers: Effects on macroscopic configuration and first hyperpolarizability
Y Okuno et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Share Paper
