Results 211 to 220 of about 51,216 (341)

EXPERIMENTAL AND THEORETICAL DETERMINATION OF STRUCTURAL, VIBRATIONAL, MOLECULAR, ELECTRONIC, NLO, NBO, AND THERMODYNAMIC CHARACTERISTICS OF PENTABROMOPHENOL AND PENTAFLUROPHENOL#.

, 2020
P Ramana Rao, G. Joga Rao, B. Venkatram Reddy, K. Srishailam   +3 more
openalex   +2 more sources

Chemical strengthening of float glasses: Effect of composition and structure

Journal of the American Ceramic Society, Volume 109, Issue 1, January 2026.
Abstract Two silicate float glasses were considered in the present work: a typical clear soda lime silicate glass and a soda magnesia silicate glass. Both materials underwent chemical strengthening in KNO3, and a different behavior was pointed out in terms of potassium penetration and corresponding surface compression.
Vincenzo M. Sglavo, Paolo Bettotti, Emanuela Callone, Sandra Dirè   +3 more
wiley   +1 more source

Unveiling the mechanism of the electroreduction of CO₂ to CO over ZIF-8, ZIF-67, and ZIF-90: a DFT perspective. [PDF]

RSC Adv
Hussain I, Farooq U, Ayub K.
europepmc   +1 more source

Microstructure and microchemistry of flash sintered K_0.5Na_0.5NbO₃

, 2016
Gülcan Çorapçıoğlu, Mehmet Ali Gülgün, Kim Kisslinger, Sašo Šturm, Shikhar Krishn Jha, Rishi Raj   +5 more
openalex   +2 more sources

Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin-8-yloxyMethyl)-4H-1,2,4-Triazol-3-yl] Sulfanyl} Acetate

, 2022
Merzouk Saidj, Ahmed Djafri, Rachida Rahmani, Nour El Houda Belkafouf, Nourdine Boukabcha, Ayada Djafri, Abdelkader Chouaıh   +6 more
openalex   +2 more sources

Impact of phase separation on the mechanical response of borosilicate glass: A hybrid Monte Carlo/molecular dynamics study

Journal of the American Ceramic Society, Volume 109, Issue 1, January 2026.
Abstract This study explores the effect of the degree of phase separation in borosilicate glass on its mechanical behavior utilizing a hybrid Monte Carlo/molecular dynamics simulation approach. By systematically varying the extent of phase separation, we investigate its impact on the glass's mechanical response under different loading conditions ...
Hongyeun Kim, Satoshi Yoshida, Kazutaka Hayashi, John C. Mauro   +3 more
wiley   +1 more source

Photoresponsive Ru Complex-Gold Nanoparticle Hybrids for Theranostics: A Theoretical Study of Electronic Structure and Luminescence-Based Detection. [PDF]

Molecules
Catevas N, Tsipis A.
europepmc   +1 more source

The structural response of network former mixing in barium borosilicate glasses: Part 1

Journal of the American Ceramic Society, Volume 109, Issue 1, January 2026.
This is a joint experimental and theoretical investigation of the structural response of the mixed network‐former effect along the barium diborate–disilicate join. Theory and spectroscopy, including NMR, Raman, and FTIR, reveal that the highest network connectivity corresponds to the highest atomic packing density. Abstract A glass series with constant
M. Brehl, B. J. A. Moulton, W. Xie, M. R. Cicconi, N. S. Tagiara, D. Möncke, A. Hajian, U. Deisinger, A. Roosen, U. Schmid, E. I. Kamitsos, J. Du, D. de Ligny   +12 more
wiley   +1 more source

Comprehensive structural insights and electrochemical evaluation of rhamnose and salicin for green corrosion protection of carbon steel in acidic medium. [PDF]

RSC Adv
Al-Odail F, Bedair MA, Alkhalifah MA, Abuelela AM.   +3 more
europepmc   +1 more source

K _0.5Na _0.5NbO ₃-based multifunctional transparent ceramics for ultrahigh sensitive optical thermometry

Hua Liu, Siqi Yang, Xiaofen Mo, Mingsheng Guo, Haolin Tang, Qiutang Zeng, Mao Ye, Ren‐Kui Zheng, Shanming Ke   +8 more
openalex   +1 more source