Results 181 to 190 of about 4,874,213 (359)

Analyzing Many-Body Charge Transfer Effects With the Fragment Molecular Orbital Method. [PDF]

J Comput Chem
Fedorov DG.
europepmc   +1 more source

Revolutions in Chemistry: Assessment of Six 20th Century Candidates (The Instrumental Revolution; Hückel Molecular Orbital Theory; Hückel's 4n + 2 Rule; the Woodward-Hoffmann Rules; Quantum Chemistry; and Retrosynthetic Analysis). [PDF]

JACS Au, 2023
Seeman JI.
europepmc   +1 more source

Spin–orbit coupled molecular quantum magnetism realized in inorganic solid [PDF]

, 2016
Sang‐Youn Park, Seung-Hwan Do, Kwang‐Yong Choi, Jinhee Kang, Dong‐Jin Jang, Burkhard Schmidt, M. Brando, B.-H. KIM, Daijin Kim, Nicholas P. Butch, Seongsu Lee, Jae‐Hoon Park, Sungdae Ji   +12 more
openalex   +1 more source

New Developments in Molecular Orbital Theory

, 1951
C. Roothaan
semanticscholar   +1 more source

Light‐Responsive Enzyme‐Loaded Nanoparticles for Tunable Adhesion and Mechanical Wound Contraction

Advanced Functional Materials, EarlyView.
This study presents a photoactivatable enzyme‐loaded mesoporous nanoparticle system (MPDA_PaTy) that enables light‐triggered tunable tissue adhesion and facilitates mechanical wound contraction. Controlled enzymatic crosslinking at tissue or hydrogel interfaces allows on‐demand adhesion.
Junghyeon Ko, Hyeon‐Jin Kim, Jeong‐Uk Kim, Seh Ri Oh, Tae Hoon Kang, Junghwan Byun, Uk‐Jae Lee, Minglin Ma, Su‐Hwan Kim, Byung‐Gee Kim, Nathaniel S. Hwang   +10 more
wiley   +1 more source

Stable narrowband blue OLEDs by modulating frontier molecular orbital levels. [PDF]

Nat Commun
Fan XC, Tang X, Zhang TY, Kohata S, Yu J, Chen XK, Wang K, Hatakeyama T, Adachi C, Zhang XH.   +9 more
europepmc   +1 more source

Fluoromaticity: The Molecular Orbital Contributions of Fluorine Substituents to the π-Systems of Aromatic Rings. [PDF]

ACS Omega, 2021
Fuhrer TJ, Houck M, Iacono ST.
europepmc   +1 more source

Photo‐reductive fading of disperse azo dyes on nylon substrate: thermochemical analyses of reactions of photo‐induced radicals using the semiempirical molecular orbital method^† [PDF]

, 2009
Yasuyo Okada, Toshio Hihara, Zenzo Morita   +2 more
openalex   +1 more source

Phase Change Material‐Driven Tunable Metasurface for Adaptive Terahertz Sensing and Communication in 6G Perceptive Networks

Advanced Functional Materials, EarlyView.
This study explores the benefits of metasurfaces made from functional materials, highlighting their ability to be adapted and improved for various high‐frequency applications, including communications and sensing. It first demonstrates the potential of these functional material‐based metasurfaces to advance the field of sub‐THz perceptive networks ...
Yat‐Sing To, Jiachen Du, Cyril Decroze, Laure Huitema, Aurelian Crunteanu, Hang Wong   +5 more
wiley   +1 more source

Specific interactions between fluorinated vitamin-D₃ derivatives and vitamin-D receptor: molecular mechanics and ab initio fragment molecular orbital calculations. [PDF]

J Mol Model
Yuguchi M, Takenaka S, Nakatani C, Nagura Y, Sabishiro H, Chimura N, Kittaka A, Takimoto-Kamimura M, Kurita N.   +8 more
europepmc   +1 more source