Quantification and classification of substituent effects in organic chemistry: a theoretical molecular electrostatic potential study

Anion–π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution

(2014) Steven E. Wheeler et al.   CHEMICAL COMMUNICATIONS

Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach

(2014) K. S. Sandhya et al.   DALTON TRANSACTIONS

C–H···π Interactions and the Nature of the Donor Carbon Atom

(2014) Brijesh Kumar Mishra et al.   JOURNAL OF ORGANIC CHEMISTRY

Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings

(2014) Steven E. Wheeler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Resonance Enhancement via Imidazole Substitution Predicts New Cation Receptors

(2013) Cherumuttathu H. Suresh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings

(2012) Steven E. Wheeler   ACCOUNTS OF CHEMICAL RESEARCH

The Cation−π Interaction

(2012) Dennis A. Dougherty   ACCOUNTS OF CHEMICAL RESEARCH

Polarization-induced σ-holes and hydrogen bonding

(2011) Matthias Hennemann et al.   JOURNAL OF MOLECULAR MODELING

Assessment of Stereoelectronic Factors That Influence the CO2 Fixation Ability of N-Heterocyclic Carbenes: A DFT Study

(2011) Manjaly J. Ajitha et al.   JOURNAL OF ORGANIC CHEMISTRY

Local Nature of Substituent Effects in Stacking Interactions

(2011) Steven E. Wheeler   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

mRNA export and cancer

(2011) Nadeem Siddiqui et al.   Wiley Interdisciplinary Reviews-RNA

Use of Molecular Electrostatic Potential at the Carbene Carbon as a Simple and Efficient Electronic Parameter of N-heterocyclic Carbenes†

(2010) Jomon Mathew et al.   INORGANIC CHEMISTRY

Average local ionization energy: A review

(2010) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

H-Bonding-Assisted Substituent Effect

(2010) Tadeusz M. Krygowski et al.   JOURNAL OF ORGANIC CHEMISTRY

Appraisal of Through-Bond and Through-Space Substituent Effects via Molecular Electrostatic Potential Topography

(2010) Fareed Bhasha Sayyed et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Are Anion/π Interactions Actually a Case of Simple Charge−Dipole Interactions?†

(2010) Steven E. Wheeler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

(2010) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Towards physical interpretation of Hammett constants: charge transferred between active regions of substituents and a functional group

(2010) T. M. Krygowski et al.   STRUCTURAL CHEMISTRY

Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes

(2009) Steven E. Wheeler et al.   Journal of Chemical Theory and Computation

Substituent Effects in Cation/π Interactions and Electrostatic Potentials above the Centers of Substituted Benzenes Are Due Primarily to Through-Space Effects of the Substituents

(2009) Steven E. Wheeler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantification of substituent effects using molecular electrostatic potentials: additive nature and proximity effects

(2009) Fareed Bhasha Sayyed et al.   NEW JOURNAL OF CHEMISTRY

An electrostatic scale of substituent resonance effect

(2009) Fareed Bhasha Sayyed et al.   TETRAHEDRON LETTERS

Predicting Reactivities of Organic Molecules. Theoretical and Experimental Studies on the Aminolysis of Phenyl Acetates

(2008) Boris Galabov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Substituent Effects in the Benzene Dimer are Due to Direct Interactions of the Substituents with the Unsubstituted Benzene

(2008) Steven E. Wheeler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular electrostatic potentials of divalent carbon(0) compounds

(2008) Milind M. Deshmukh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Use of molecular electrostatic potential for quantitative assessment of inductive effect

(2008) Cherumuttathu H. Suresh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS