Unraveling weak interactions in aniline-pyrrole dimer clusters

Direct Spectroscopic Evidence for an n→π* Interaction

(2016) Santosh K. Singh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Supramolecular polymers constructed by orthogonal self-assembly based on host–guest and metal–ligand interactions

(2015) Peifa Wei et al.   CHEMICAL SOCIETY REVIEWS

Toward Selection of Efficient Density Functionals for van der Waals Molecular Complexes: Comparative Study of C–H···π and N–H···π Interactions

(2015) Guvanchmyrat Paytakov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cooperative or Anticooperative: How Noncovalent Interactions Influence Each Other

(2015) Soumen Saha et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene–amine complexes: coexistence of C–H⋯N and lone-pair⋯π complexes and intermolecular coulombic decay

(2015) Sohidul Islam Mondal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The n → π* interaction: a rapidly emerging non-covalent interaction

(2015) Santosh K. Singh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density Functional Theory Based Study of Molecular Interactions, Recognition, Engineering, and Quantum Transport in π Molecular Systems

(2014) Yeonchoo Cho et al.   ACCOUNTS OF CHEMICAL RESEARCH

Energy Decomposition Scheme Based on the Generalized Kohn–Sham Scheme

(2014) Peifeng Su et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers

(2014) Teresa Fornaro et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interplay of Hydrogen Bonds and n→π* Interactions in Proteins

(2013) Gail J. Bartlett et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

(2011) Jan Řezáč et al.   Journal of Chemical Theory and Computation

Multiwfn: A multifunctional wavefunction analyzer

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

Probing Weak Intermolecular Interactions in Self-Assembled Nanotubes

(2011) Laurent Bouteiller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular aniline clusters. I. The electronic ground state

(2010) Dominik Schemmel et al.   JOURNAL OF CHEMICAL PHYSICS

Energy decomposition analysis of covalent bonds and intermolecular interactions

(2009) Peifeng Su et al.   JOURNAL OF CHEMICAL PHYSICS

Red-Shifted Hydrogen Bonds and Blue-Shifted van der Waals Contact in the Standard Watson−Crick Adenine−Thymine Base Pair

(2009) Pan-Pan Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A