ab initio calculations

Explore academic connections and research related to this keyword

221
Views
12
Total Connections
Search More Keywords

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... 194 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.... 203 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.... 216 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... 241 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 191 views
6
Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles.
Polsterová, Svatava;Friák, Martin;Všianská, Monika;Šob, Mojmír;
2020 Nanomaterials DOI: E767 229 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 225 views

Related Journals

The Journal of Chemical Physics
ISSN: 1089-7690 863 views
Nanomaterials
ISSN: 2079-4991 854 views
Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641 629 views
the journal of physical chemistry b
ISSN: 1520-5207 675 views
physical review letters
ISSN: 1079-7114 575 views

Related Research Groups

No Research Groups Found

No research groups are currently associated with this keyword.

Explore Related Keywords

thermodynamics diamines molecular crystals sublimation silver nanoparticles decahedron excess energy carbon graphene graphyne electronics semiconductorstechnologyelectrical engineering