Keyword Connections

ab initio calculations

Journals

5

1 The Journal of Chemical Physics

2 Nanomaterials (Basel, Switzerland)

3 Chemphyschem : a European journal of chemical physics and physical chemistry

4 the journal of physical chemistry b

5 physical review letters

Research Groups

0

No Research Group Connected

Bibliographies

10

1 Sublimation Properties of α,ω-Diamines Revisited from First-Principles Calculations.

2 Anomalous Behavior of Magnetic Susceptibility Obtained by Quench Experiments in Isolated Quantum Systems.

3 Heat and Work Along Individual Trajectories of a Quantum Bit.

4 Hydrogen Bonding in the Liquid State of the Linear Alcohols: Molecular Dynamics and Thermodynamics.

5 Temperature expansions in the square-shoulder fluid. II. Thermodynamics.

6 Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles.

7 anisotropic-cyclicgraphene: a new two-dimensional semiconducting carbon allotrope

8 Cesium immobilization by K-struvite crystal in aqueous solution: Ab initio calculations and experiments.

9 Ab Initio Calculations of the Molecular Structures and the Electronic Properties of Phospha-Alkynes R—C≡P (R = H, CH3, NH2, OH, F and Cl)

10 electronic structure and excited-state properties of co<sub>2</sub>tisn and co<sub>2</sub>zrsn from ab initio calculations