An insight into the structures, stabilities, and bond character of BnPt (n=1∼6) clusters

Emergence of Antiferromagnetic Ordering in Tbn (n = 2–33) Clusters

(2014) G. L. Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electron-Deficient Pt2M2Pt2 Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands

(2014) Eri Goto et al.   ORGANOMETALLICS

Structures and stabilities of ScBn (n = 1–12) clusters: an ab initio investigation

(2013) Jianfeng Jia et al.   JOURNAL OF MOLECULAR MODELING

Density Functional Theory Assessment of Molecular Structures and Energies of Neutral and Anionic Aln (n = 2–10) Clusters

(2013) Selvarengan Paranthaman et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Transition-Metal-Centered Monocyclic Boron Wheel Clusters (M©Bn): A New Class of Aromatic Borometallic Compounds

(2012) Constantin Romanescu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Observation of the Highest Coordination Number in Planar Species: Decacoordinated Ta©B10− and Nb©B10− Anions

(2012) Timur R. Galeev et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Spin–orbit effect and magnetic anisotropy in Pt clusters

(2012) H.K. Yuan et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8− and Fe©B9−

(2012) Constantin Romanescu et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

OMG: Open Molecule Generator

(2012) Julio E Peironcely et al.   Journal of Cheminformatics

Aromatic Metal-Centered Monocyclic Boron Rings: Co©B8− and Ru©B9−

(2011) Constantin Romanescu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An Ab initio theoretical investigation on the geometrical and electronic structures of BAun−/0 (n = 1-4) clusters

(2011) Da-Zhi Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Density functional study of AlBn clusters for n=1–14

(2011) Mustafa Böyükata et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural, Electronic, and Magnetic Properties of MB n (M = Y, Zr, Nb, Mo, Tc, Ru, n ≤ 8) Clusters

(2011) Gui-xian Ge et al.   JOURNAL OF CLUSTER SCIENCE

Electronic Structure and Thermochemical Properties of Small Neutral and Cationic Lithium Clusters and Boron-Doped Lithium Clusters: Lin0/+and LinB0/+(n= 1–8)

(2011) Truong Ba Tai et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density functional theory study of BnC clusters

(2011) Chunhui Liu et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Computational study of 5d transition metal mononitrides and monoborides using density functional method

(2010) Vijayanand Kalamse et al.   BULLETIN OF MATERIALS SCIENCE

Planar Hepta-, Octa-, Nona-, and Decacoordinate First Row d-Block Metals Enclosed by Boron Rings

(2009) Zhifeng Pu et al.   INORGANIC CHEMISTRY

Low ionization potentials of binuclear superalkali B2Li11

(2009) Jing Tong et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen Storage on Metal-Coated B80 Buckyballs with Density Functional Theory

(2009) Guangfen Wu et al.   Journal of Physical Chemistry C

A theoretical study on structural and electronic properties of Zr-doped B clusters: ZrBn (n=1–12)

(2008) Jian-Gang Yao et al.   CHEMICAL PHYSICS

Electronic structure of CuXy(X = B, C, N, O, F;y= 0, +1, −1)

(2008) Luiz Fernando A. Ferrão et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Structures and electronic properties of small FeBn (n=1–10) clusters

(2008) Zhi Yang et al.   JOURNAL OF CHEMICAL PHYSICS

”Developing paradigms of chemical bonding: adaptive natural density partitioning

(2008) Dmitry Yu. Zubarev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS