Results 41 to 50 of about 102,481 (122)

Molecular Compasses for Modulating Electronic Communication in Pillar[5]quinone. [PDF]

J Am Chem Soc
Kwon TW, Wu G, Lei SN, Stoddart JF.
europepmc   +1 more source

Visualization of the local dipole moment at the Si(111) surface using DFT calculations. [PDF]

Sci Rep
Sumiyoshi A, Yamasue K, Cho Y, Nakamura J.   +3 more
europepmc   +1 more source

Unveiling the ESIPT Luminescence Mechanism of 4'-N,N-Diethylamino-3-Hydroxyflavone in Ionic Liquid: A Computational Study. [PDF]

Molecules
Yang J, Li Q, Guo M, Yan L, Zhu L, Zhao J, Hu G, Yin H, Shi Y.   +8 more
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Quantum physical analysis of caffeine and nicotine in CCL4 and DMSO solvent using density functional theory. [PDF]

Sci Rep
Sah M, Chaudhary R, Sahani SK, Sahani K, Pandey BK, Pandey D, Lelisho ME.   +6 more
europepmc   +1 more source

Giant Dipole Moments: Remarkable Effects Mono-, Di-, and Tri- Hydrated 5,6-Diaminobenzene-1,2,3,4-Tetracarbonnitrile. [PDF]

J Comput Chem
Stanley K, Givhan RH, Turney JM, Schaefer HF.   +3 more
europepmc   +1 more source

In silico engineering of graphitic carbon nitride nanostructures through germanium mono-doping and codoping with transition metals (Ni, Pd, Pt) as sensors for diazinon organophosphorus pesticide pollutants. [PDF]

BMC Chem
Otoh EF, Odey MO, Martin OI, Agurokpon DC.   +3 more
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Electric charge and salting in/out effects on glucagon's dipole moments and polarizabilities using the GruPol database. [PDF]

Acta Crystallogr B Struct Sci Cryst Eng Mater
Ligorio RF, Gehle RHM, Dos Santos LHR, Krawczuk A.   +3 more
europepmc   +1 more source

Molecular insight into the role of benzotriazole nanocapsule to deliver anticancer drug in smart drug delivery system. [PDF]

Sci Rep
Sajjad A, Sarfaraz S, Abdul Hamid MHS, Keasberry NA, Lakhani A, Sheikh NS, Ayub K.   +6 more
europepmc   +1 more source

External electric fields drive the formation of P → C dative bonds. [PDF]

Chem Sci
Ma T, Wang X, Peng X, Li J, Yin S, Mo Y, Wang C.   +6 more
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Multiple Near-Infrared Chromisms of a Heteromerous Overcrowded Ethylene with Large Permanent Dipole Moment. [PDF]

Angew Chem Int Ed Engl
Shimizu A, Misaki Y, Kondo C, Kayama A, Hirose T, Sato H, Shintani R.   +6 more
europepmc   +1 more source