Quantum Chemistry

165 papers for year 2017

Quantum Chemistry Research Context

This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.

All years 2026 2756 2025 526 2024 658 2023 557 2022 366 2021 440 2020 434 2019 276 2018 193 2017 165 2016 179 2015 194 2014 214 2013 214 2012 112 2011 228 2010 209 2009 105 2008 86 2007 193 2006 86 2004 23 2003 51 2002 49 2001 27 2000 48 1999 70 1998 73
All sources 165 arXiv preprints 140 Crossref 4 Europe PMC 6 DOAJ 15

Showing 145-156 of 165

Systematically Improvable Excitonic Hamiltonians for Electronic Structure Theory

Anthony D. Dutoi, Yuhong Liu

2017 arXiv arXiv preprint

Tensorial elastic properties and stability of interface states associated with Σ5(210) grain boundaries in Ni3(Al,Si)

Martin Friák, Monika Všianská, David Holec, Martin Zelený, Mojmír Šob

2017 DOAJ Science and Technology of Advanced Materials

The importance of nuclear quantum effects in spectral line broadening of optical spectra and electrostatic properties in aromatic chromophores

Y. K. Law, A. A. Hassanali

2017 Crossref The Journal of Chemical Physics

The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels

Tobias A. Timmerscheidt, Poulumi Dey, Dimitri Bogdanovski, Jörg von Appen, Tilmann Hickel, Jörg Neugebauer, Richard Dronskowski

2017 DOAJ Metals

The statistical properties of q-deformed Morse potential for some diatomic molecules

Abdelmalek Boumali

2017 arXiv arXiv preprint

The thermal effect on the left-handedness of the mesoscopic composite right-Left handed transmission line

Xiao-Jing Wei, Shun-Cai Zhao, Hong-Wei Guo

2017 arXiv arXiv preprint

Theoretical study of asymmetric superrotors: alignment and orientation

Juan J. Omiste

2017 arXiv arXiv preprint

Theory for Nonlinear Spectroscopy of Vibrational Polaritons

Raphael F. Ribeiro, Adam D. Dunkelberger, Bo Xiang, Wei Xiong, Blake S. Simpkins, Jeffrey C. Owrutsky, Joel Yuen-Zhou

2017 arXiv arXiv preprint

Theory for polariton-assisted remote energy transfer

Matthew Du, Luis A. Martínez-Martínez, Raphael F. Ribeiro, Zixuan Hu, Vinod M. Menon, Joel Yuen-Zhou

2017 arXiv arXiv preprint

Time- and space-resolved selective multi-pair creation

Q. Z. Lv, Heiko Bauke

2017 arXiv arXiv preprint

Tin-Vacancy Quantum Emitters in Diamond

Takayuki Iwasaki, Yoshiyuki Miyamoto, Takashi Taniguchi, Petr Siyushev, Mathias H. Metsch, Fedor Jelezko, Mutsuko Hatano

2017 arXiv arXiv preprint

Toward the first quantum simulation with quantum speedup

Andrew M. Childs, Dmitri Maslov, Yunseong Nam, Neil J. Ross, Yuan Su

2017 arXiv arXiv preprint
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