Origin of anomeric effect: A density functional steric analysis

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

The Pauli potential from the differential virial theorem

(2010) Á. Nagy   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Quantifying steric effect with experimental electron density

(2010) Vladimir G. Tsirelson et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Steric Analysis of Linear and Branched Alkanes

(2010) Daniel H. Ess et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Steric, Quantum, and Electrostatic Effects on SN2 Reaction Barriers in Gas Phase

(2010) Shubin Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect

(2010) Yirong Mo   Nature Chemistry

The origin of the generalized anomeric effect: possibility of CH/n and CH/π hydrogen bonds

(2009) Osamu Takahashi et al.   CARBOHYDRATE RESEARCH

Steric Effect: Partitioning in Atomic and Functional Group Contributions

(2009) Miquel Torrent-Sucarrat et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exploring the origin of the internal rotational barrier for molecules with one rotatable dihedral angle

(2008) Shubin Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Toward Understanding the Nature of Internal Rotation Barriers with a New Energy Partition Scheme: Ethane andn-Butane

(2008) Shubin Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A