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 1-12 of 165

<i>Ab initio</i> Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulation of CO in the Heme Distal Pocket of Myoglobin

Xian-wei Wang, John Z. H. Zhang, Xiao He

2017 Crossref Chinese Journal of Chemical Physics

A DFT Study on the Electronic Structures and Conducting Properties of Rubrene and its Derivatives in Organic Field-Effect Transistors

Huipeng Ma, Na Liu, Jin-Dou Huang

2017 DOAJ Scientific Reports

A generic tool to evaluate second quantization

Xinle Liu

2017 arXiv arXiv preprint

A Method for Preparation and Readout of Polyatomic Molecules in Single Quantum States

David Patterson

2017 arXiv arXiv preprint

A Novel Diterpene Glycoside with Nine Glucose Units from Stevia rebaudiana Bertoni

Indra Prakash, Gil Ma, Cynthia Bunders, Romila D. Charan, Catherine Ramirez, Krishna P. Devkota, Tara M. Snyder

2017 DOAJ Biomolecules

A pedagogical description of diabatic and adiabatic molecular processes

Francisco M. Fernández

2017 arXiv arXiv preprint

A variational method for integrability-breaking Richardson-Gaudin models

Pieter W. Claeys, Jean-Sébastien Caux, Dimitri Van Neck, Stijn De Baerdemacker

2017 arXiv arXiv preprint

Ab initio computations of molecular systems by the auxiliary-field quantum Monte Carlo method

Mario Motta, Shiwei Zhang

2017 arXiv arXiv preprint

Achieving robust and high-fidelity quantum control via spectral phase optimization

Yu Guo, Daoyi Dong, Chuan-Cun Shu

2017 arXiv arXiv preprint

Alignment, Orientation, and Coulomb Explosion of Difluoroiodobenzene Studied with the Pixel Imaging Mass Spectrometry (PImMS) Camera

Kasra Amini, Rebecca Boll, Alexandra Lauer, Michael Burt, Jason W L Lee, Lauge Christensen, Felix Brauße, Terence Mullins, Evgeny Savelyev, Utuq Ablikim, Nora Berrah, Cédric Bomme, Stefan Düsterer, Benjamin Erk, Hauke Höppner, Per Johnsson, Thomas Kierspel, Faruk Krecinic, Jochen Küpper, Maria Müller, Erland Müller, Harald Redlin, Arnaud Rouzée, Nora Schirmel, Jan Thøgersen, Simone Techert, Sven Toleikis, Rolf Treusch, Sebastian Trippel, Anatoli Ulmer, Joss Wiese, Claire Vallance, Artem Rudenko, Henrik Stapelfeldt, Mark Brouard, Daniel Rolles

2017 arXiv arXiv preprint

All-optical nanoscale thermometry with silicon-vacancy centers in diamond

Christian T. Nguyen, Ruffin E. Evans, Alp Sipahigil, Mihir K. Bhaskar, Denis D. Sukachev, Viatcheslav N. Agafonov, Valery A. Davydov, Liudmila F. Kulikova, Fedor Jelezko, Mikhail D. Lukin

2017 arXiv arXiv preprint

Ambi-polar anomalous Nernst effect in a magnetic topological insulator

Minghua Guo, Yunbo Ou, Yong Xu, Yang Feng, Gaoyuan Jiang, Ke He, Xucun Ma, Qi-Kun Xue, Yayu Wang

2017 DOAJ New Journal of Physics
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