Literature DB >> 16526611

Hydrogen bonding without borders: an atoms-in-molecules perspective.

R Parthasarathi, V Subramanian, N Sathyamurthy.   

Abstract

It is shown that the electron density at the hydrogen bond critical point increases approximately linearly with increasing stabilization energy in going from weak hydrogen bonds to moderate and strong hydrogen bonds, thus serving as an indicator of the nature and gradual change of strength of the hydrogen bond for a large number of test intermolecular complexes.

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Year:  2006        PMID: 16526611     DOI: 10.1021/jp060571z

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  26 in total

1.  Theoretical study of the cooperative effects between the triel bond and the pnicogen bond in BF3···NCXH2···Y (X = P, As, Sb; Y = H2O, NH3) complexes.

Authors:  Ming-Xiu Liu; Hong-Ying Zhuo; Qing-Zhong Li; Wen-Zuo Li; Jian-Bo Cheng
Journal:  J Mol Model       Date:  2015-12-16       Impact factor: 1.810

2.  Practical and Broadly Applicable Catalytic Enantioselective Additions of Allyl-B(pin) Compounds to Ketones and α-Ketoesters.

Authors:  Daniel W Robbins; KyungA Lee; Daniel L Silverio; Alexey Volkov; Sebastian Torker; Amir H Hoveyda
Journal:  Angew Chem Int Ed Engl       Date:  2016-06-07       Impact factor: 15.336

3.  Role of size and shape selectivity in interaction between gold nanoclusters and imidazole: a theoretical study.

Authors:  Muthuramalingam Prakash; Gilberte Chambaud; M Mogren Al-Mogren; Majdi Hochlaf
Journal:  J Mol Model       Date:  2014-12-09       Impact factor: 1.810

4.  Co-operativity in non-covalent interactions in ternary complexes: a comprehensive electronic structure theory based investigation.

Authors:  Shyam Vinod Kumar Panneer; Mahesh Kumar Ravva; Brijesh Kumar Mishra; Venkatesan Subramanian; Narayanasami Sathyamurthy
Journal:  J Mol Model       Date:  2018-08-29       Impact factor: 1.810

5.  Analysis of the strength of interfacial hydrogen bonds between tubulin dimers using quantum theory of atoms in molecules.

Authors:  Ahmed T Ayoub; Travis J A Craddock; Mariusz Klobukowski; Jack Tuszynski
Journal:  Biophys J       Date:  2014-08-05       Impact factor: 4.033

Review 6.  Cryoprotectant Toxicity: Facts, Issues, and Questions.

Authors:  Benjamin P Best
Journal:  Rejuvenation Res       Date:  2015-09-22       Impact factor: 4.663

7.  A theoretical study of the diastereoselective allylation of aldehydes with new chiral allylsilanes.

Authors:  Vincent Tognetti; Samir Bouzbouz; Laurent Joubert
Journal:  J Mol Model       Date:  2016-12-09       Impact factor: 1.810

8.  An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors.

Authors:  Marcela Vettorazzi; Emilio Angelina; Santiago Lima; Tomas Gonec; Jan Otevrel; Pavlina Marvanova; Tereza Padrtova; Petr Mokry; Pavel Bobal; Lina M Acosta; Alirio Palma; Justo Cobo; Janette Bobalova; Jozef Csollei; Ivan Malik; Sergio Alvarez; Sarah Spiegel; Josef Jampilek; Ricardo D Enriz
Journal:  Eur J Med Chem       Date:  2017-08-10       Impact factor: 6.514

9.  Structural Properties of Nonionic Monorhamnolipid Aggregates in Water Studied by Classical Molecular Dynamics Simulations.

Authors:  Elango Munusamy; Charles M Luft; Jeanne E Pemberton; Steven D Schwartz
Journal:  J Phys Chem B       Date:  2017-06-05       Impact factor: 2.991

10.  Influence of halogen atom substitution and neutral HCN/anion CN- Lewis base on the triel-bonding interactions.

Authors:  Yuchun Li; Xiaoting Wang; Hui Wang; Yuxiang Ni; Hongyan Wang
Journal:  J Mol Model       Date:  2021-02-23       Impact factor: 1.810

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