4.4 Article

Non-covalent interactions - QTAIM and NBO analysis

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

QTAIM Characteristics of Halogen Bond and Related Interactions

Slawomir J. Grabowski

JOURNAL OF PHYSICAL CHEMISTRY A (2012)

Review Chemistry, Multidisciplinary

What Is the Covalency of Hydrogen Bonding?

Slawomir Janusz Grabowski

CHEMICAL REVIEWS (2011)

Article Chemistry, Physical

A new noncovalent force: Comparison of P ... N interaction with hydrogen and halogen bonds

Steve Scheiner

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Red- and Blue-Shifted Hydrogen Bonds: the Bent Rule from Quantum Theory of Atoms in Molecules Perspective

Slawomir J. Grabowski

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Chemistry, Physical

Effects of Substituents upon the P•••N Noncovalent Interaction: The Limits of Its Strength

Steve Scheiner

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Chemistry, Physical

Halogen Bond and Its Counterparts: Bent's Rule Explains the Formation of Nonbonding Interactions

Slawomir J. Grabowski

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Chemistry, Multidisciplinary

Directional Weak Intermolecular Interactions: sigma-Hole Bonding

Jane S. Murray et al.

AUSTRALIAN JOURNAL OF CHEMISTRY (2010)

Article Chemistry, Physical

Bond Paths Show Preferable Interactions: Ab Initio and QTAIM Studies on the X-H•••π Hydrogen Bond

Slawomir J. Grabowski et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

Article Chemistry, Physical

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

Peter Politzer et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Biochemistry & Molecular Biology

Expansion of the σ-hole concept

Jane S. Murray et al.

JOURNAL OF MOLECULAR MODELING (2009)

Article Biochemistry & Molecular Biology

Blue shifts vs red shifts in σ-hole bonding

Jane S. Murray et al.

JOURNAL OF MOLECULAR MODELING (2008)

Article Biochemistry & Molecular Biology

σ-hole bonding between like atoms;: a fallacy of atomic charges

Peter Politzer et al.

JOURNAL OF MOLECULAR MODELING (2008)

Article Biochemistry & Molecular Biology

σ-hole bonding:: molecules containing group VI atoms

Jane S. Murray et al.

JOURNAL OF MOLECULAR MODELING (2007)

Article Chemistry, Multidisciplinary

Red-, blue-, or no-shift in hydrogen bonds: A unified explanation

Jorly Joseph et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

Article Biochemistry & Molecular Biology

An overview of halogen bonding

Peter Politzer et al.

JOURNAL OF MOLECULAR MODELING (2007)

Article Biochemistry & Molecular Biology

Halogen bonding:: the σ-hole

Timothy Clark et al.

JOURNAL OF MOLECULAR MODELING (2007)

Review Chemistry, Multidisciplinary

Rehybridization as a general mechanism for maximizing chemical and supramolecular bonding and a driving force for chemical reactions

Igor V. Alabugin et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)

Article Chemistry, Physical

Properties of the halogen-hydride interaction: An ab initio and atoms in molecules analysis

Pawel Lipkowski et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Article Chemistry, Physical

Attractive halogen-halogen interactions:: F3CCl•••FH and F3CCl•••FCH3 dimers

Slawomir J. Grabowski et al.

CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Hydride bonding -: Ab initio studies of BeH2 . . . Li+, BeH2 . . . Na+ and BeH2 . . . Mg2+ model systems

Slawomir J. Grabowski et al.

CHEMICAL PHYSICS LETTERS (2006)

Letter Chemistry, Physical

Quantitative classification of covalent and noncovalent H-bonds

SJ Grabowski et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

Review Chemistry, Multidisciplinary

Interrelation between H-bond and Pi-electron delocalization

L Sobczyk et al.

CHEMICAL REVIEWS (2005)

Article Chemistry, Multidisciplinary

Electronic basis of improper hydrogen bonding: A subtle balance of hyperconjugation and rehybridization

IV Alabugin et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Chemistry, Multidisciplinary

Behavior of ylides containing N, O, and C atoms as hydrogen bond accepters

I Rozas et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)

Review Chemistry, Multidisciplinary

Blue-shifting hydrogen bonds

P Hobza et al.

CHEMICAL REVIEWS (2000)