Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective
出版年份 2013 全文链接
标题
Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 138, Issue 15, Pages 151102
出版商
AIP Publishing
发表日期
2013-04-20
DOI
10.1063/1.4802585
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- One Molecule, Two Atoms, Three Views, Four Bonds?
- (2013) Sason Shaik et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The one-electron picture in the Piris natural orbital functional 5 (PNOF5)
- (2013) Mario Piris et al. THEORETICAL CHEMISTRY ACCOUNTS
- sp3 Hybrid orbitals and ionization energies of methane from PNOF5
- (2012) Jon M. Matxain et al. CHEMICAL PHYSICS LETTERS
- The Nature of Chemical Bonds from PNOF5 Calculations
- (2012) Jon M. Matxain et al. CHEMPHYSCHEM
- Orbitals: Some Fiction and Some Facts
- (2012) Jochen Autschbach JOURNAL OF CHEMICAL EDUCATION
- The extended Koopmans’ theorem: Vertical ionization potentials from natural orbital functional theory
- (2012) Mario Piris et al. JOURNAL OF CHEMICAL PHYSICS
- Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C–C and O–O Homolytic Bond Cleavage in Selected Molecules
- (2012) Xabier Lopez et al. Journal of Chemical Theory and Computation
- Quadruple bonding in C2 and analogous eight-valence electron species
- (2012) Sason Shaik et al. Nature Chemistry
- The natural orbital functional theory of the bonding in Cr2, Mo2and W2
- (2012) F. Ruipérez et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Bounds on the PNOF5 natural geminal occupation numbers
- (2012) M. Piris Computational and Theoretical Chemistry
- Natural Orbital Functional Theory and Reactivity Studies of Diradical Rearrangements: Ethylene Torsion as a Case Study
- (2011) Xabier Lopez et al. CHEMPHYSCHEM
- A natural orbital functional for multiconfigurational states
- (2011) M. Piris et al. JOURNAL OF CHEMICAL PHYSICS
- Is a molecular orbital measurable by means of tomographic imaging?
- (2011) J. F. Ogilvie Foundations of Chemistry
- Bonding Conundrums in the C2Molecule: A Valence Bond Study
- (2010) Peifeng Su et al. Journal of Chemical Theory and Computation
- Why orbitals do not exist?
- (2010) Martín Labarca et al. Foundations of Chemistry
- A density matrix functional with occupation number driven treatment of dynamical and nondynamical correlation
- (2008) Daniel R. Rohr et al. JOURNAL OF CHEMICAL PHYSICS
- Reduced density matrix functional for many-electron systems
- (2008) S. Sharma et al. PHYSICAL REVIEW B
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started