相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure
Daniel W. Davies et al.
CHEMICAL SCIENCE (2018)
A solution-processable dissymmetric porous organic cage
A. G. Slater et al.
MOLECULAR SYSTEMS DESIGN & ENGINEERING (2018)
Porous Organic Materials: Strategic Design and Structure-Function Correlation
Saikat Das et al.
CHEMICAL REVIEWS (2017)
Computational Design of New Magnesium Electrolytes with Improved Properties
Xiaohui Qu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Topological landscapes of porous organic cages
Valentina Santolini et al.
NANOSCALE (2017)
The atom, the molecule, and the covalent organic framework
Christian S. Diercks et al.
SCIENCE (2017)
Computational prediction of new auxetic materials
John Dagdelen et al.
NATURE COMMUNICATIONS (2017)
Electronic structure design for nanoporous, electrically conductive zeolitic imidazolate frameworks
Keith T. Butler et al.
JOURNAL OF MATERIALS CHEMISTRY C (2017)
Computationally-Guided Synthetic Control over Pore Size in Isostructural Porous Organic Cages
Anna G. Slater et al.
ACS CENTRAL SCIENCE (2017)
Porous Molecular Solids and Liquids
Andrew I. Cooper
ACS CENTRAL SCIENCE (2017)
Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments
Aniketa Shinde et al.
ACS ENERGY LETTERS (2017)
Design Principles and Top Non-Fullerene Acceptor Candidates for Organic Photovoltaics
Steven A. Lopez et al.
JOULE (2017)
Computational Prediction and Evaluation of Solid-State Sodium Superionic Conductors Na7P3X11 (X=0, 5, Se)
Yan Wang et al.
CHEMISTRY OF MATERIALS (2017)
Trends and challenges for microporous polymers
Nicolas Chaoui et al.
CHEMICAL SOCIETY REVIEWS (2017)
Metal-organic frameworks: functional luminescent and photonic materials for sensing applications
William P. Lustig et al.
CHEMICAL SOCIETY REVIEWS (2017)
pysimm: A python package for simulation of molecular systems
Michael E. Fortunato et al.
SOFTWAREX (2017)
Visible-Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts
Reiner Sebastian Sprick et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Conjugated Polymers: Catalysts for Photocatalytic Hydrogen Evolution
Guigang Zhang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
The rise of organic electrode materials for energy storage
Tyler B. Schon et al.
CHEMICAL SOCIETY REVIEWS (2016)
Molecular Design of Semiconducting Polymers for High-Performance Organic Electrochemical Transistors
Christian B. Nielsen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Rational Design of Porous Conjugated Polymers and Roles of Residual Palladium for Photocatalytic Hydrogen Production
Lianwei Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
HBP Builder: A Tool to Generate Hyperbranched Polymers and Hyperbranched Multi-Arm Copolymers for Coarse-grained and Fully Atomistic Molecular Simulations
Chunyang Yu et al.
SCIENTIFIC REPORTS (2016)
Organophosphorus derivatives for electronic devices
D. Joly et al.
JOURNAL OF MATERIALS CHEMISTRY C (2016)
High brightness solution-processed OLEDs employing linear, small molecule emitters
N. J. Findlay et al.
JOURNAL OF MATERIALS CHEMISTRY C (2016)
Beyond efficiency: scalability of molecular donor materials for organic photovoltaics
Riccardo Po et al.
JOURNAL OF MATERIALS CHEMISTRY C (2016)
Covalent organic frameworks: a materials platform for structural and functional designs
Ning Huang et al.
NATURE REVIEWS MATERIALS (2016)
Porous organic cages: soluble, modular and molecular pores
Tom Hasell et al.
NATURE REVIEWS MATERIALS (2016)
Shape-Controlled Synthesis and Self-Sorting of Covalent Organic Cage Compounds
Stefanie Klotzbach et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Predicting solvent effects on the structure of porous organic molecules
Valentina Santolini et al.
CHEMICAL COMMUNICATIONS (2015)
Synthesis and Applications of Porous Organic Cages
Jack D. Evans et al.
CHEMISTRY LETTERS (2015)
Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation
Sereina Riniker et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Separation of rare gases and chiral molecules by selective binding in porous organic cages
Linjiang Chen et al.
NATURE MATERIALS (2014)
Nanoporous Organic Polymer/Cage Composite Membranes
Alexandra F. Bushell et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Direct gravimetric sensing of GBL by a molecular recognition process in organic cage compounds
Malte Brutschy et al.
CHEMICAL COMMUNICATIONS (2013)
Efficient Computational Screening of Organic Polymer Photovoltaics
Ilana Y. Kanal et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Polymatic: a generalized simulated polymerization algorithm for amorphous polymers
Lauren J. Abbott et al.
THEORETICAL CHEMISTRY ACCOUNTS (2013)
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Anubhav Jain et al.
APL MATERIALS (2013)
Large-scale screening of hypothetical metal-organic frameworks
Christopher E. Wilmer et al.
NATURE CHEMISTRY (2012)
Large Self-Assembled Chiral Organic Cages: Synthesis, Structure, and Shape Persistence
Kim E. Jelfs et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
ProDy: Protein Dynamics Inferred from Theory and Experiments
Ahmet Bakan et al.
BIOINFORMATICS (2011)
Modular and predictable assembly of porous organic molecular crystals
James T. A. Jones et al.
NATURE (2011)
Porous organic molecular solids by dynamic covalent scrambling
Shan Jiang et al.
NATURE COMMUNICATIONS (2011)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
A Crystalline Imine-Linked 3-D Porous Covalent Organic Framework
Fernando J. Uribe-Romo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Porous, covalent triazine-based frameworks prepared by ionothermal synthesis
Pierre Kuhn et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Porous, crystalline, covalent organic frameworks
AP Côté et al.
SCIENCE (2005)
HostDesigner: A program for the de novo structure-based design of molecular receptors with binding sites that complement metal ion guests
BP Hay et al.
INORGANIC CHEMISTRY (2002)
分享论文
