Enhancing σ/π-type copper(i)⋯thiophene interactions by metal doping (metal = Li, Na, K, Ca, Sc)

Benchmarking the Lithium-Thiophene Complex

(2012) Michael E. Harding et al.   CHEMPHYSCHEM

Insight into the nature of the interactions of pyridine, funan and thiophene with LiNH2

(2012) Junyong Wu et al.   Computational and Theoretical Chemistry

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Insight into the nature of the interactions of furan and thiophene with hydrogen halides and lithium halides: ab initio and QTAIM studies

(2011) Yanli Zeng et al.   JOURNAL OF MOLECULAR MODELING

Influence of Hybridization and Cooperativity on the Properties of Au-Bonding Interaction: Comparison with Hydrogen Bonds

(2011) Qingzhong Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Lithium–Thiophene Riddle Revisited

(2011) Martin Korth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Well-defined copper(i) complexes for Click azide–alkyne cycloaddition reactions: one Click beyond

(2011) Silvia Díez-González   Catalysis Science & Technology

Comparisons of the halogen-bonded and hydrogen-bonded complexes of furan, thiophene and pyridine with Lewis acids (ClF, HCl)

(2011) Zhaoxu Wang et al.   Computational and Theoretical Chemistry

Electron Localization Function at the Correlated Level: A Natural Orbital Formulation

(2010) Ferran Feixas et al.   Journal of Chemical Theory and Computation

Insight into the lithium/hydrogen bonding in (CH2)2X...LiY/HY (X: C=CH2, O, S; Y=F, Cl, Br) complexes

(2010) Xiaoyan Li et al.   JOURNAL OF MOLECULAR MODELING

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

(2010) Felipe A. Bulat et al.   JOURNAL OF MOLECULAR MODELING

Definition of Molecular Structure: By Choice or by Appeal to Observation?

(2010) Richard F. W. Bader   JOURNAL OF PHYSICAL CHEMISTRY A

Periodic density functional theory studies of Li-doped polythiophene: Dependence of electronic and structural properties on dopant concentration

(2009) A. Ramírez-Solís et al.   JOURNAL OF CHEMICAL PHYSICS

Designing 3-D Molecular Stars

(2009) William Tiznado et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY