A cascaded QSAR model for efficient prediction of overall power conversion efficiency of all-organic dye-sensitized solar cells

Crystal Structure and Host-Guest Binding Ability of Three Types of Pillar[5]arenes

(2015) Luzhi Liu et al.   CHINESE JOURNAL OF CHEMISTRY

Choosing Feature Selection and Learning Algorithms in QSAR

(2014) Martin Eklund et al.   Journal of Chemical Information and Modeling

Quantum Chemical Designing of Efficient Sensitizers for Dye Sensitized Solar Cells

(2013) Muhammad Imran Abdullah et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Arylamine organic dyes for dye-sensitized solar cells

(2013) Mao Liang et al.   CHEMICAL SOCIETY REVIEWS

Molecular Design Principle of All-organic Dyes for Dye-Sensitized Solar Cells

(2013) Bong-Gi Kim et al.   CHEMISTRY-A EUROPEAN JOURNAL

Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms

(2013) Hongming Chen et al.   Journal of Chemical Information and Modeling

New pyrido[3,4-b]pyrazine-based sensitizers for efficient and stable dye-sensitized solar cells

(2013) Weijiang Ying et al.   Chemical Science

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions

(2013) Faizan Sahigara et al.   Journal of Cheminformatics

Efficient iodine-free dye-sensitized solar cells employing truxene-based organic dyes

(2012) Xueping Zong et al.   CHEMICAL COMMUNICATIONS

Accurate Reaction Energies in Proteins Obtained by Combining QM/MM and Large QM Calculations

(2012) LiHong Hu et al.   Journal of Chemical Theory and Computation

An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes

(2012) Jia-Nan Wang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Design of Truxene-Based Organic Dyes for High-Efficiency Dye-Sensitized Solar Cells Employing Cobalt Redox Shuttle

(2012) Xueping Zong et al.   Journal of Physical Chemistry C

Benchmarking Variable Selection in QSAR

(2012) Martin Eklund et al.   Molecular Informatics

A Novel Organic Sensitizer Combined with a Cobalt Complex Redox Shuttle for Dye-Sensitized Solar Cells

(2012) Chuanjiang Qin et al.   ORGANIC LETTERS

Prediction of Protein Phosphorylation Sites by Using the Composition of k-Spaced Amino Acid Pairs

(2012) Xiaowei Zhao et al.   PLoS One

Electron Transfer Dynamics in Dye-Sensitized Solar Cells

(2011) Andrea Listorti et al.   CHEMISTRY OF MATERIALS

On the Convergence of QM/MM Energies

(2011) LiHong Hu et al.   Journal of Chemical Theory and Computation

An effective method for accurate prediction of the first hyperpolarizability of alkalides

(2011) Jia-Nan Wang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Density functional theory characterization and design of high-performance diarylamine-fluorenedyes with different π spacers for dye-sensitized solar cells

(2011) Ji Zhang et al.   JOURNAL OF MATERIALS CHEMISTRY

Porphyrin-Sensitized Solar Cells with Cobalt (II/III)-Based Redox Electrolyte Exceed 12 Percent Efficiency

(2011) A. Yella et al.   SCIENCE

Dye-sensitized solar cells: A brief overview

(2011) Md. K. Nazeeruddin et al.   SOLAR ENERGY

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL REVIEWS

Efficient Dye-Sensitized Solar Cells with an Organic Photosensitizer Featuring Orderly Conjugated Ethylenedioxythiophene and Dithienosilole Blocks

(2010) Wangdong Zeng et al.   CHEMISTRY OF MATERIALS

Recent Advances in Sensitized Mesoscopic Solar Cells

(2009) Michael Grätzel   ACCOUNTS OF CHEMICAL RESEARCH

Metal-Free Organic Dyes for Dye-Sensitized Solar Cells: From Structure: Property Relationships to Design Rules

(2009) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An accurate density functional theory calculation for electronic excitation energies: The least-squares support vector machine

(2009) Ting Gao et al.   JOURNAL OF CHEMICAL PHYSICS

Do Quantum Mechanical Energies Calculated for Small Models of Protein-Active Sites Converge?†

(2009) LiHong Hu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Critical Assessment of QSAR Models of Environmental Toxicity againstTetrahymena pyriformis:Focusing on Applicability Domain and Overfitting by Variable Selection

(2008) Igor V. Tetko et al.   Journal of Chemical Information and Modeling

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient  Test Set Activity Mean vs Training Set Activity Mean

(2008) Gerrit Schüürmann et al.   Journal of Chemical Information and Modeling

Accurate prediction of heats of formation by a combined method of B3LYP and neural network correction

(2008) Jianming Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY