Donor–acceptor interactions between cyclic trinuclear pyridinate gold(i)-complexes and electron-poor guests: nature and energetics of guest-binding and templating on graphite

SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals

(2017) Fabijan Pavošević et al.   JOURNAL OF CHEMICAL PHYSICS

Extension of the D3 dispersion coefficient model

(2017) Eike Caldeweyher et al.   JOURNAL OF CHEMICAL PHYSICS

Host–guest chemistry in two-dimensional supramolecular networks

(2016) Joan Teyssandier et al.   CHEMICAL COMMUNICATIONS

The death of the Job plot, transparency, open science and online tools, uncertainty estimation methods and other developments in supramolecular chemistry data analysis

(2016) D. Brynn Hibbert et al.   CHEMICAL COMMUNICATIONS

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

(2016) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

Recognizing the Limited Applicability of Job Plots in Studying Host–Guest Interactions in Supramolecular Chemistry

(2016) Filip Ulatowski et al.   JOURNAL OF ORGANIC CHEMISTRY

Nanowire Chemical/Biological Sensors: Status and a Roadmap for the Future

(2015) John F. Fennell et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Using dispersion-corrected density functional theory to understand supramolecular binding thermodynamics

(2015) Jens Antony et al.   CHEMICAL COMMUNICATIONS

Artificial Molecular Machines

(2015) Sundus Erbas-Cakmak et al.   CHEMICAL REVIEWS

Consistent structures and interactions by density functional theory with small atomic orbital basis sets

(2015) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Comprehensive Benchmark of Association (Free) Energies of Realistic Host–Guest Complexes

(2015) Rebecca Sure et al.   Journal of Chemical Theory and Computation

Polymorphic, Porous, and Host–Guest Nanostructures Directed by Monolayer–Substrate Interactions: Epitaxial Self-Assembly Study of Cyclic Trinuclear Au(I) Complexes on HOPG at the Solution–Solid Interface

(2015) Bhaskar Chilukuri et al.   Journal of Physical Chemistry C

Synthesis, Structures, and Photophysical Properties of π-Expanded Oligothiophene 8-mers and Their Saturn-Like C60 Complexes

(2015) Hideyuki Shimizu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Supramolecular Assemblies by Charge-Transfer Interactions between Donor and Acceptor Chromophores

(2014) Anindita Das et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

(2013) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

STM Study of Gold(I) Pyrazolates: Distinct Morphologies, Layer Evolution, and Cooperative Dynamics

(2013) Duncan den Boer et al.   Journal of Physical Chemistry C

Toward tunable doping in graphene FETs by molecular self-assembled monolayers

(2013) Bing Li et al.   Nanoscale

Mechanical Drawing of Gas Sensors on Paper

(2012) Katherine A. Mirica et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

(2012) Stefan Grimme   CHEMISTRY-A EUROPEAN JOURNAL

Nanopatterning the graphite surface with ordered macrocyclic or ribbon-like assemblies of isocytosine derivatives: an STM study

(2011) Artur Ciesielski et al.   CRYSTENGCOMM

Nanopatterning by Molecular Polygons

(2011) Stefan-S. Jester et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determining association constants from titration experiments in supramolecular chemistry

(2010) Pall Thordarson   CHEMICAL SOCIETY REVIEWS

Structure and luminescence properties of a well-known macrometallocyclic trinuclear Au(i) complex and its adduct with a perfluorinated fluorophore showing cooperative anisotropic supramolecular interactions

(2010) Oussama Elbjeirami et al.   DALTON TRANSACTIONS

Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlatedab initioMethods?

(2010) Frank Neese et al.   Journal of Chemical Theory and Computation

2D Assembly of Metallacycles on HOPG by Shape-Persistent Macrocycle Templates

(2010) Ting Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Two-Dimensional Crystal Engineering: A Four-Component Architecture at a Liquid-Solid Interface

(2009) Jinne Adisoejoso et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structures and properties of gold(I) complexes of interest in biochemical applications

(2009) Hanan E. Abdou et al.   COORDINATION CHEMISTRY REVIEWS

Sensitization of Naphthalene Monomer Phosphorescence in a Sandwich Adduct with an Electron-Poor Trinuclear Silver(I) Pyrazolate Complex

(2009) Mohammad A. Omary et al.   INORGANIC CHEMISTRY

Carbon Nanotube Gas and Vapor Sensors

(2008) Douglas R. Kauffman et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Filling the Cavity of Conjugated Carbazole Macrocycles with Graphene Molecules: Monolayers Formed by Physisorption Serve as a Surface for Pulsed Laser Deposition

(2008) Bruno Schmaltz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Giant molecular spoked wheels in giant voids: two-dimensional molecular self-assembly goes big

(2008) Kazukuni Tahara et al.   CHEMICAL COMMUNICATIONS

Self-assembled π-stacks of functional dyes in solution: structural and thermodynamic features

(2008) Zhijian Chen et al.   CHEMICAL SOCIETY REVIEWS

Molecular Clusters in Two-Dimensional Surface-Confined Nanoporous Molecular Networks: Structure, Rigidity, and Dynamics

(2008) Shengbin Lei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Site-Selective Guest Inclusion in Molecular Networks of Butadiyne-Bridged Pyridino and Benzeno Square Macrocycles on a Surface

(2008) Kazukuni Tahara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rational Design of Macrometallocyclic Trinuclear Complexes with Superior π-Acidity and π-Basicity

(2008) Sammer M. Tekarli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY