Search Results - "Wenli Zou"

Analytic Energy Gradients and Hessians of Exact Two-Component Relativistic Methods: Efficient Implementation and Extensive Applications by Zou, Wenli, Guo, Guina, Suo, Bingbing, Liu, Wenjian

“…The algebraic exact two-component (X2C) relativistic Hamiltonian can be viewed as a matrix functional of the decoupling (X) and renormalization (R) matrices…”
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On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction by Zou, Wenli, Nori-Shargh, Davood, Boggs, James E

“…At the averaged quadratic coupled-cluster (AQCC) level, a number of selected rare gas (Rg) containing systems have been studied using the quantum theory of…”
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Unraveling the Emission Mechanism of Radical-Based Organic Light-Emitting Diodes by He, Chuhuan, Li, Zhendong, Lei, Yibo, Zou, Wenli, Suo, Bingbing

“…Stable doublet radical molecules have recently emerged as a promising new type of emitters in organic light-emitting diodes (OLEDs), approaching 100% internal…”
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Exosomal miRNA-215-5p Derived from Adipose-Derived Stem Cells Attenuates Epithelial–Mesenchymal Transition of Podocytes by Inhibiting ZEB2 by Tan, Mingming, Zou, Wenli, Zhao, Li, Wang, Yunguang, Jin, Juan, He, Qiang

“…Background. Podocyte migration is actively involved in the process of podocyte loss and proteinuria production, which is closely associated with the…”
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Neutrophil extracellular traps promote erectile dysfunction in rats with diabetes mellitus by enhancing NLRP3-mediated pyroptosis by Xu, Ying, Ren, Yan, Zou, Wenli, Ji, Shuiyu, Shen, Wei

“…Erectile dysfunction (ED) is the most prevalent consequences in men with diabetes mellitus (DM). Recent studies demonstrates that neutrophil extracellular…”
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Advances in the Uptake and Transport Mechanisms and QTLs Mapping of Cadmium in Rice by Chen, Jingguang, Zou, Wenli, Meng, Lijun, Fan, Xiaorong, Xu, Guohua, Ye, Guoyou

“…Cadmium (Cd), as a heavy metal, presents substantial biological toxicity and has harmful effects on human health. To lower the ingress levels of human Cd, it…”
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Properties of local vibrational modes: the infrared intensity by Zou, Wenli, Cremer, Dieter

“…For the local (adiabatic) vibrational modes of Konkoli and Cremer (Int J Quantum Chem 67:29–40, 1998 ), infrared intensities are derived by setting up the…”
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A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory by Verma, Niraj, Tao, Yunwen, Zou, Wenli, Chen, Xia, Chen, Xin, Freindorf, Marek, Kraka, Elfi

“…Over the past two decades, the vibrational Stark effect has become an important tool to measure and analyze the in situ electric field strength in various…”
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PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solids by Tao, Yunwen, Zou, Wenli, Nanayakkara, Sadisha, Kraka, Elfi

“…Visualizing vibrational motions calculated with different ab initio packages requires dedicated post-processing tools. Here, we present a PyMOL plugin called…”
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The Rice Cation/H+ Exchanger Family Involved in Cd Tolerance and Transport by Zou, Wenli, Chen, Jingguang, Meng, Lijun, Chen, Dandan, He, Haohua, Ye, Guoyou

“…Cadmium (Cd), a heavy metal toxic to humans, easily accumulates in rice grains. Rice with unacceptable Cd content has become a serious food safety problem in…”
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New Light on an Old Story: Breaking Kasha's Rule in Phosphorescence Mechanism of Organic Boron Compounds and Molecule Design by Deng, Dan, Suo, Bingbing, Zou, Wenli

“…In this work, the phosphorescence mechanism of (E)-3-(((4-nitrophenyl)imino)methyl)-2H-thiochroman-4-olate-BF2 compound (S-BF2) is investigated theoretically…”
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In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode Theory by Tao, Yunwen, Qiu, Yue, Zou, Wenli, Nanayakkara, Sadisha, Yannacone, Seth, Kraka, Elfi

“…Periodic local vibrational modes were calculated with the rev-vdW-DF2 density functional to quantify the intrinsic strength of the X-I⋯OA-type halogen bonding…”
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OsNAC15 Regulates Tolerance to Zinc Deficiency and Cadmium by Binding to OsZIP7 and OsZIP10 in Rice by Zhan, Junhui, Zou, Wenli, Li, Shuangyuyan, Tang, Jichun, Lu, Xiang, Meng, Lijun, Ye, Guoyou

“…Zinc (Zn) deficiency and cadmium (Cd) stress are severe threats to the growth and development of plants. Increasing Zn content and/or decreasing Cd content in…”
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Quantum Chemical Simulation of the Qy Absorption Spectrum of Zn Chlorin Aggregates for Artificial Photosynthesis by Wang, Zhimo, Suo, Bingbing, Yin, Shiwei, Zou, Wenli

“…Zn chlorin (Znchl) is easy to synthesize and has similar optical properties to those of bacteriochlorophyll c in the nature, which is expected to be used as a…”
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A case of heavy-chain deposition disease with good long-term renal survival and a literature review by Cai, Xiaoqing, Zou, Wenli, Chen, Huaihuai, Xing, Chaonian, Yu, Xuguang

“…Monoclonal immunoglobulin deposition disease (MIDD) is characterized by the deposition of nonamyloid monoclonal immunoglobulin and its free fragment light…”
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A revised formulation of the generalized subsystem vibrational analysis (GSVA) by Tao, Yunwen, Zou, Wenli, Nanayakkara, Sadisha, Freindorf, Marek, Kraka, Elfi

“…In this work, a simplified formulation of our recently developed generalized subsystem vibrational analysis (GSVA) for obtaining intrinsic fragmental…”
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A New Method for Describing the Mechanism of a Chemical Reaction Based on the Unified Reaction Valley Approach by Zou, Wenli, Sexton, Thomas, Kraka, Elfi, Freindorf, Marek, Cremer, Dieter

“…The unified reaction valley approach (URVA) used for a detailed mechanistic analysis of chemical reactions is improved in three different ways: (i) Direction…”
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Genome-Wide Association Study for Seed Dormancy Using Re-Sequenced Germplasm under Multiple Conditions in Rice by Chen, Dandan, Zou, Wenli, Zhang, Mingpei, Liu, Jindong, Chen, Liang, Peng, Ting, Ye, Guoyou

“…Seed dormancy is a key factor used to determine seed germination in rice production. So far, only a few genes controlling seed dormancy have been reported, and…”
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Panax notoginseng saponins inhibits NLRP3 inflammasome-mediated pyroptosis by downregulating lncRNA-ANRIL in cardiorenal syndrome type 4 by Xu, Ying, Cao, Luxi, Zou, Wenli, Yu, Rizhen, Shen, Wei

“…Cardiorenal syndrome type 4 (CRS4) is a complication of chronic kidney disease. Panax notoginseng saponins (PNS) have been confirmed to be efficient in…”
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Exploring the Mechanism of Catalysis with the Unified Reaction Valley Approach (URVA)—A Review by Elfi Kraka, Wenli Zou, Yunwen Tao, Marek Freindorf

“…The unified reaction valley approach (URVA) differs from mainstream mechanistic studies, as it describes a chemical reaction via the reaction path and the…”
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