Results 271 to 280 of about 1,811,886 (362)

Influence of hydrogen bonding on twisted intramolecular charge transfer in coumarin dyes: an integrated experimental and theoretical investigation. [PDF]

RSC Adv
Ge J, Xiao J, Xue B, Liu D, Du B, Bai X.
europepmc   +1 more source

A complete set of cross-correlated relaxation experiments for determining the protein backbone dihedral angles

Paulina Bartosińska-Marzec, Bartłomiej Banaś, Clemens Kauffmann, Andreas Beier, Daniel Braun, Irene Ceccolini, Wiktor Koźmiński, Robert Konrat, Anna Zawadzka‐Kazimierczuk   +8 more
openalex   +1 more source

Enhancing Near‐Infrared Two‐Photon Absorption of Aza‐Boron‐Dipyrromethene Compounds Through Intramolecular Charge Transfer Via Electron Donating Substitution

ChemPlusChem, EarlyView.
Aza‐BODIPY compounds is designed with 4‐methoxyphenyl, 2,4‐dimethoxyphenyl, and 4‐N,N‐diphenylaminophenyl groups at the 1 and 7 positions. The effects of substituents and solvent polarity (tetrahydrofuran and chloroform) on the linear absorption, fluorescence behaviors as well as nonlinear absorption properties are investigated.
Anıl Doğan, Halil Yılmaz, Ahmet Karatay, Elif Akhüseyin Yıldız, Gökhan Sevinç, Huseyin Unver, Bahadir Boyacioglu, Mustafa Hayvali, Ayhan Elmali   +8 more
wiley   +1 more source

Big-Data Analysis of Geometric Descriptors as Efficient Predictors of Energetic Stability in Nonplanar Polycyclic Aromatic Hydrocarbons. [PDF]

J Comput Chem
Gregory KP, Karton A.
europepmc   +1 more source

Symmetric Bis‐Kryptopyrrol‐2‐Yl Squaraine as a Viscosity Probe and Dual‐State Emitter

ChemPhotoChem, EarlyView.
Previously unknown capabilities of one of the original squaraine dyes as a viscosity probe and dual‐state emitter are revealed, with aggregated forms of the dye being responsible for the near‐IR emission in the solid state. Easily accessible small organic fluorophores with multiplexing capabilities are of interest for a variety of fields.
Daniel D. Ta, Bong Lee, Agnieszka Jablonska, William L. Burnett, Rajveer Sagoo, Danh Pham, Luca Ceresa, Jose L. Chavez, Joseph D. Kimball, Cynthia B. Powell, Jeffery L. Coffer, Kayla N. Green, Ignacy Gryczynski, Zygmunt Gryczynski, Benjamin G. Janesko, Sergei V. Dzyuba   +15 more
wiley   +1 more source

VeloxChem Quantum-Classical Interoperability for Modeling of Complex Molecular Systems. [PDF]

J Phys Chem A
de Gracia Triviño JA, Brumboiu IE, Carrasco-Busturia D, Li X, Li C, Linares M, Lindfeld V, Rhee YM, Rune J, van Hoorn B, Norman P, Ahlquist MSG.   +11 more
europepmc   +1 more source

An improved criterion for predicting corner stall in axial compressors with varying dihedral angles

Huiling Zhu, Ling Zhou, Jia-Bin Li, Shuxian Sun, Lucheng Ji   +4 more
openalex   +1 more source

Semi‐Automated Pipeline for Transition State Search of Molecular Photoswitches

ChemPhotoChem, EarlyView.
A semi‐automated pipeline for the transition state search of molecular switches (PiTS3) is reported, which facilitates the search, optimization, and conformational analysis of transition states of photochemical switches based on the stilbene, imine, aza‐diarylethene, and norbornadiene structures.
Roman Yu. Peshkov, Jorn D. Steen, Stefano Crespi   +2 more
wiley   +1 more source

Dissecting <i>In Vivo</i> Cross-Linker Performance: Insights into Structural Dynamics and Molecular Rigidity. [PDF]

JACS Au
Zhou Y, Zhang B, Zhong B, Sun M, Zhang X, Zhang Y, Zhang L, Zhao Q, Gong Z, Liu M.   +9 more
europepmc   +1 more source

Impact of dihedral angle in aryl group on photocyclization reactivity of inverse type diarylethenes

M. Suganuma, Daichi Kitagawa, Shota Hamatani, Hikaru Sotome, Cédric Mittelheisser, Michel silwa, Syoji Ito, Hiroshi Miyasaka, Seiya Kobatake   +8 more
openalex   +1 more source