Nucleation and growth of 2D covalent organic frameworks: polymerization and crystallization of COF monomers

Growth rates and water stability of 2D boronate ester covalent organic frameworks

(2015) Brian J. Smith et al.   CHEMICAL COMMUNICATIONS

A π-electronic covalent organic framework catalyst: π-walls as catalytic beds for Diels–Alder reactions under ambient conditions

(2015) Yang Wu et al.   CHEMICAL COMMUNICATIONS

Mechanistic Studies of Two-Dimensional Covalent Organic Frameworks Rapidly Polymerized from Initially Homogenous Conditions

(2014) Brian J. Smith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional tight binding

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

Moltemplate a Coarse-Grained Model Assembly Tool

(2013) Andrew I. Jewett et al.   BIOPHYSICAL JOURNAL

On-Surface Synthesis of Single-Layered Two-Dimensional Covalent Organic Frameworks via Solid–Vapor Interface Reactions

(2013) Xuan-He Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single-Step Solution-Phase Synthesis of Free-Standing Two-Dimensional Polymers and Their Evolution into Hollow Spheres

(2013) Tian-You Zhou et al.   MACROMOLECULES

Heterogeneous nucleation of organic crystals mediated by single-molecule templates

(2012) Koji Harano et al.   NATURE MATERIALS

A Covalent Organic Framework with 4 nm open pores

(2011) Mirjam Dogru et al.   CHEMICAL COMMUNICATIONS

Construction and repair of highly ordered 2D covalent networks by chemical equilibrium regulation

(2011) Cui-Zhong Guan et al.   CHEMICAL COMMUNICATIONS

Design of Covalent Organic Frameworks for Methane Storage

(2011) Jose L. Mendoza-Cortes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Construction of Covalent Organic Framework for Catalysis: Pd/COF-LZU1 in Suzuki–Miyaura Coupling Reaction

(2011) San-Yuan Ding et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular simulation of CO2, N2and CH4adsorption and separation in ZIF-78 and ZIF-79

(2011) Bo Li et al.   MOLECULAR SIMULATION

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion

(2010) Michael R. Weismiller et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Understanding the Stabilization of Liquid-Phase-Exfoliated Graphene in Polar Solvents: Molecular Dynamics Simulations and Kinetic Theory of Colloid Aggregation

(2010) Chih-Jen Shih et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The two-step mechanism of nucleation of crystals in solution

(2010) Peter G. Vekilov   Nanoscale

Lewis acid-catalysed formation of two-dimensional phthalocyanine covalent organic frameworks

(2010) Eric L. Spitler et al.   Nature Chemistry

Exceptional ammonia uptake by a covalent organic framework

(2010) Christian J. Doonan et al.   Nature Chemistry

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks

(2009) Sang Soo Han et al.   CHEMICAL SOCIETY REVIEWS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications

(2009) Hiroyasu Furukawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density-functional based tight-binding: an approximate DFT method

(2009) Augusto F. Oliveira et al.   JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Organized Formation of 2D Extended Covalent Organic Frameworks at Surfaces

(2008) Nikolas A. A. Zwaneveld et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Path Sampling Calculation of Methane Diffusivity in Natural Gas Hydrates from a Water-Vacancy Assisted Mechanism

(2008) Baron Peters et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Covalent Organic Frameworks as Exceptional Hydrogen Storage Materials

(2008) Sang Soo Han et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY