Quantum Chemistry
366 papers for year 2022
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 325-336 of 366
The extended star graph as a light-harvesting-complex prototype: excitonic absorption speedup by peripheral energy defect tuning
Saad Yalouz, Vincent Pouthier
The Fundamental Nature of Motives
Arto Annila
The pH-dependent reactions in the sonochemical synthesis of luminescent fluorides: The quest for the formation of KY3F10 crystal phases
Pablo Serna-Gallén, Héctor Beltrán-Mir, Eloísa Cordoncillo
The quantum trajectory‐guided adaptive <scp>Gaussian</scp> methodology in the <scp>Libra</scp> software package
Matthew Dutra, Sophya Garashchuk, Alexey V. Akimov
The role of Coulomb anti-blockade in the photoassociation of long-range Rydberg molecules
Michael Peper, Martin Trautmann, Johannes Deiglmayr
The role of folic acid in inducing of apoptosis by zinc(II) complex in ovary and cervix cancer cells.
Yu C, Heidari Majd M, Shiri F, Shahraki S, Karimi P
The role of interaction-induced tunneling in the dynamics of polar lattice bosons
Adith Sai Aramthottil, Mateusz Łącki, Luis Santos, Jakub Zakrzewski
The Study of Structural Features of N- and O-Derivatives of 4,5-Dihydroxyimidazolidine-2-Thione by NMR Spectroscopy and Quantum Chemical Calculations
Liudmila E. Kalichkina, Alexander V. Fateev, Polina K. Krivolapenko, Kristina A. Isakova, Alexey S. Knyazev, Victor S. Malkov, Abdigali A. Bakibaev, Vera P. Tuguldurova
Theoretical insights into the synthesis mechanism of two amino‐substituted derivatives of <scp>FOX</scp>‐7
Fangjian Shang, Ting Wang, Yinhua Ma, Meiheng Lv
Theoretical Studies on Thermally Activated Delayed Fluorescence Mechanism of Au(III) Complexes in Films: Insights from Quantum Mechanics/Molecular Mechanics Simulations
Yuan-Jun Gao, Gwan Yeong Jung, Wen-Kai Chen, Ganglong Cui, Sang Kyu Kwak
Theoretical study of the vibrational properties of L-alanine and its zwitterionic form in the gas phase and in solution.
Rahmani M, Benmalti MEA
Thermodynamic and electron-transport properties of Ca3Ru2O7 from first-principles phonon calculations and Boltzmann transport theory
Yi Wang, Yihuang Xiong, Tiannan Yang, Yakun Yuan, Shunli Shang, Zi-Kui Liu, Venkatraman Gopalan, Ismaila Dabo, Long-Qing Chen