ab initio calculations

Explore academic connections and research related to this keyword

245
Views
13
Total Connections

Related Articles & Bibliographies

1
Sublimation Properties of α,ω-Diamines Revisited from First-Principles Calculations.
Cervinka, Ctirad;Štejfa, Vojtěch;
2020 Chemphyschem : a European journal of chemical phys... DOI: 10.1002/cphc.2020001... 206 views
2
Anomalous Behavior of Magnetic Susceptibility Obtained by Quench Experiments in Isolated Quantum Systems.
Chiba, Yuuya;Asano, Kenichi;Shimizu, Akira;
2020 physical review letters DOI: 10.1103/PhysRevLett.... 220 views
3
Heat and Work Along Individual Trajectories of a Quantum Bit.
Naghiloo, M;Tan, D;Harrington, P M;Alonso, J J;Lutz, E;Romito, A;Murch, K W;
2020 physical review letters DOI: 10.1103/PhysRevLett.... 237 views
4
Hydrogen Bonding in the Liquid State of the Linear Alcohols: Molecular Dynamics and Thermodynamics.
Jindal, Aman;Vasudevan, Sukumaran;
2020 the journal of physical chemistry b DOI: 10.1021/acs.jpcb.0c0... 255 views
5
Temperature expansions in the square-shoulder fluid. II. Thermodynamics.
Coquand, O;Sperl, M;
2020 The Journal of Chemical Physics DOI: 10.1063/1.5142662 209 views
6
Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles.
Polsterová, Svatava;Friák, Martin;Všianská, Monika;Šob, Mojmír;
2020 Nanomaterials DOI: E767 242 views
7
anisotropic-cyclicgraphene: a new two-dimensional semiconducting carbon allotrope
;Marcin Maździarz;Adam Mrozek;Wacław Kuś;Tadeusz Burczyński
2018 Nature Materials DOI: 10.3390/ma11030432 241 views
8
Glycoprotein YKL-40 Is Elevated and Predicts Disease Severity in Puumala Hantavirus Infection.
Outinen, Tuula K;Mantula, Paula;Jaatinen, Pia;Hämäläinen, Mari;Moilanen, Eeva;Vaheri, Antti;Huhtala,...
2019 Viruses DOI: E767 198 views

Related Journals

The Journal of Chemical Physics
ISSN: 1089-7690 1,089 views
Nanomaterials
ISSN: 2079-4991 1,084 views
the journal of physical chemistry b
ISSN: 1520-5207 921 views
physical review letters
ISSN: 1079-7114 809 views

Related Research Groups

No Research Groups Found

No research groups are currently associated with this keyword.