Pyridine derived N-heterocyclic germylenes: A density functional perspective

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2009.12.013 ◽

2010 ◽

Vol 695 (5) ◽

pp. 760-765 ◽

Author(s):

M.Z. Kassaee ◽

M.R. Momeni ◽

F.A. Shakib ◽

M. Ghambarian

Keyword(s):

Density Functional ◽

Functional Perspective

Download Full-text

The First Carbonyl Bond Dissociation Energies of M(CO)5and M(CO)4(C2H2) (M = Fe, Ru, and Os): The Role of the Acetylene Ligand from a Density Functional Perspective

Journal of the American Chemical Society ◽

10.1021/ja981197m ◽

1998 ◽

Vol 120 (36) ◽

pp. 9342-9355 ◽

Author(s):

Stephen A. Decker ◽

Mariusz Klobukowski

Keyword(s):

Density Functional ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Functional Perspective ◽

Download Full-text

Ferromagnetism in IV main group element (C) and transition metal (Mn) doped MgO: A density functional perspective

AIP Advances ◽

10.1063/1.3625411 ◽

2011 ◽

Vol 1 (3) ◽

pp. 032129 ◽

Author(s):

Vinit Sharma ◽

Ghanshyam Pilania ◽

J. E. Lowther

Keyword(s):

Transition Metal ◽

Density Functional ◽

Group Element ◽

Functional Perspective ◽

Main Group Element ◽

Download Full-text

A density functional perspective for single-particle systems

American Journal of Physics ◽

10.1119/1.1624118 ◽

2004 ◽

Vol 72 (5) ◽

pp. 605-607 ◽

Author(s):

H. L. Neal

Keyword(s):

Single Particle ◽

Density Functional ◽

Particle Systems ◽

Functional Perspective

Download Full-text

A Density-Functional Perspective on the Chorismate Mutase Enzyme

Large-Scale Quantum-Mechanical Enzymology - Springer Theses ◽

10.1007/978-3-319-19351-9_6 ◽

2015 ◽

pp. 111-141 ◽

Author(s):

Greg Lever

Keyword(s):

Density Functional ◽

Chorismate Mutase ◽

Functional Perspective

Download Full-text

Stretched hydrogen molecule from a constrained-search density-functional perspective

Physical Review A ◽

10.1103/physreva.80.042501 ◽

2009 ◽

Vol 80 (4) ◽

Author(s):

Steven M. Valone ◽

Mel Levy

Keyword(s):

Density Functional ◽

Hydrogen Molecule ◽

Functional Perspective

Download Full-text

FISSION OF ACTINIDES AND SUPERHEAVY NUCLEI: COVARIANT DENSITY FUNCTIONAL PERSPECTIVE

Fission and Properties of Neutron-Rich Nuclei ◽

10.1142/9789814525435_0033 ◽

2013 ◽

Author(s):

A. V. AFANASJEV

Keyword(s):

Density Functional ◽

Superheavy Nuclei ◽

Functional Perspective ◽

Covariant Density

Download Full-text

Decay of Correlations in Bulk Fluids and at Interfaces: A Density-Functional Perspective

ACS Symposium Series - Chemical Applications of Density-Functional Theory ◽

10.1021/bk-1996-0629.ch012 ◽

1996 ◽

pp. 166-184 ◽

Author(s):

R. Evans ◽

R. J. F. Leote de Carvalho

Keyword(s):

Density Functional ◽

Decay Of Correlations ◽

Functional Perspective

Download Full-text

Trends in ferromagnetism in Mn-doped dilute III-V alloys from a density functional perspective

Physical Review B ◽

10.1103/physrevb.79.195211 ◽

2009 ◽

Vol 79 (19) ◽

Author(s):

Roby Cherian ◽

Priya Mahadevan ◽

Clas Persson

Keyword(s):

Density Functional ◽

Functional Perspective ◽

Download Full-text

Silicon impacts on structure, stability and aromaticity of C20-nSin heterofullerenes (n = 1–10): A density functional perspective

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.08.012 ◽

2017 ◽

Vol 1127 ◽

pp. 522-531 ◽

Author(s):

M. Koohi ◽

S. Soleimani Amiri ◽

M. Shariati

Keyword(s):

Density Functional ◽

Structure Stability ◽

Functional Perspective

Download Full-text

C20−n Ge n heterofullerenes (n = 5–10) on focus: a density functional perspective

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/s00706-014-1388-1 ◽

2015 ◽

Vol 146 (9) ◽

pp. 1409-1417 ◽

Author(s):

M. Koohi ◽

M. Z. Kassaee ◽

M. Ghavami ◽

B. N. Haerizade ◽

A. A. Ahmadi

Keyword(s):

Density Functional ◽

Functional Perspective

Download Full-text