Results 181 to 190 of about 114,906 (245)

Engineering Small HOMO-LUMO Gaps in Polycyclic Aromatic Hydrocarbons with Topologically Protected States. [PDF]

Nano Lett
Slicker K, Delgado A, Jiang J, Tang W, Cronin A, Blackwell RE, Louie SG, Fischer FR.   +7 more
europepmc   +1 more source

One‐Step, High‐Removal‐Rate and Low‐Damage Chemical Mechanical Polishing of InP Enabled by Hydrolysis Activated PF6− with In Situ Fluoride Passivation

Advanced Science, EarlyView.
In this work, we propose a CMP method for InP using NH4PF₆, which hydrolyzes under In3+ catalysis to form reactive species. These convert InP into low‐binding‐energy fluorides, facilitating removal and dissolution. The process delivers high material removal rates, smooth surfaces, and fluorine passivation that lowers defect density and improves ...
Shigong Fu, Jianwei Zhou, Chenwei Wang, Yanchao Ge, Chong Luo, Yuhang Qi   +5 more
wiley   +1 more source

Kinetically stabilized 1,3-diarylisobenzofurans and the possibility of preparing large, persistent isoacenofurans with unusually small HOMO-LUMO gaps. [PDF]

Beilstein J Org Chem
Liu Q, Miller GP.
europepmc   +1 more source

Dataset of theoretical Molecular Electrostatic Potential (MEP), Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) band gap and experimental cole-cole plot of 4-(ortho-, meta- and para-fluorophenyl)thiosemicarbazide isomers. [PDF]

Data Brief, 2020
Silvarajoo S, Osman UM, Kamarudin KH, Razali MH, Yusoff HM, Bhat IUH, Rozaini MZH, Juahir Y.   +7 more
europepmc   +1 more source

Substrate‐Affinitive P‐Type Azapolycyclic Photosensitizer for Chemoselective Nitrilization Under Mild Conditions

Advanced Science, EarlyView.
We developed a series of quinoxalinoquinoxaline (QQ) photosensitizers featuring high and tunable excited‐state reduction potentials (E(PC•+/PC*) = –1.76 to –2.05 V vs. SCE). Their hydrogen‐bonding interaction with carbonyl substrates enables selective single‐electron transfer events for selective nitrilization of 1° amides, offering a tunable ...
Seongwoo Bae, Dongwook Kim, Jinwoo Kim
wiley   +1 more source

Correlation between Molecular Docking and the Stabilizing Interaction of HOMO-LUMO: Spirostans in CHK1 and CHK2, an In Silico Cancer Approach. [PDF]

Int J Mol Sci
Rosales-López A, López-Castillo GN, Sandoval-Ramírez J, Terán JL, Carrasco-Carballo A.   +4 more
europepmc   +1 more source

Atomic Interlayer Mo–N4 Sites Enable Rapid Charge Transfer and Efficient CO2 Photoreduction

Advanced Science, EarlyView.
This work achieved efficient CO2 activation and ultrafast interlayer electron transport in a 2D COF by constructing atomic‐level Mo‐N4‐induced interlayer electron bridges (IEB), thereby kinetically and thermodynamically co‐driving the photocatalytic coupling of CO2 reduction with 4‐methoxybenzyl alcohol oxidation.
Lijuan Sun, Haiwei Su, Zhen Chen, William Orbell, Guijie Liang, Weikang Wang, Lele Wang, Juan Yang, Qinqin Liu, Junhua Li   +9 more
wiley   +1 more source

Exploring the Impact of the HOMO-LUMO Gap on Molecular Thermoelectric Properties: A Comparative Study of Conjugated Aromatic, Quinoidal, and Donor-Acceptor Core Systems. [PDF]

ACS Omega
Blankevoort N, Bastante P, Davidson RJ, Salthouse RJ, Daaoub AHS, Cea P, Solans SM, Batsanov AS, Sangtarash S, Bryce MR, Agrait N, Sadeghi H.   +11 more
europepmc   +1 more source

Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory. [PDF]

J Comput Chem, 2018
Narsaria AK, Poater J, Fonseca Guerra C, Ehlers AW, Lammertsma K, Bickelhaupt FM.   +5 more
europepmc   +1 more source

Dumbbell‐Structured Plasmonic‐Enhanced Optical Nanoprobes Boosting Photo‐Magnetic‐Acoustic Multimodal Imaging‐Guided Photodynamic‐Photothermal Synergistic Treatment and Immunogenic Death in Nasopharyngeal Carcinoma

Advanced Science, EarlyView.
This study reports a novel rationally‐designed optical nanoprobe based on dumbbell‐shaped mesoporous silica‐coated gold nanorods, loaded with rare‐earth oxides, photosensitizers, and tumor‐targeted peptides, enabling plasmonic‐enhanced multimodal imaging and PTT‐PDT synergy.
Baikang Zhuang, Yubiao Yang, Wen Han, Yi Tang, Chengxin Yao, Fuli Zhao, Wenxiao Fang, Jinjie Li, Xiaolan Huo, Yiqian An, Yuanzhi Shao, Botao Gao, Jinchang Yin   +12 more
wiley   +1 more source