On the performance of molecular tailoring approach for estimation of the intramolecular hydrogen bond energies of RAHB systems: a comparative study

Bond Energies ◽

Intramolecular Hydrogen ◽

Hydrogen Bond Energies ◽

Molecular Tailoring

A comparative study of open-close and related rotamers methods to evaluate the intramolecular hydrogen bond energies in 3-imino-propen-1-ol and its derivatives

International Journal of Quantum Chemistry ◽

10.1002/qua.23118 ◽

2011 ◽

Vol 112 (5) ◽

pp. 1384-1391 ◽

Cited By ~ 7

Author(s):

H. Hajiabadi ◽

A. Nowroozi ◽

M. Hasani ◽

P. Mohammadzadeh Jahani ◽

H. Raissi

Keyword(s):

Hydrogen Bond ◽

Comparative Study ◽

Bond Energies ◽

Intramolecular Hydrogen ◽

Stabilization of diazene in Fe(II)-sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies

Theoretical Chemistry Accounts ◽

10.1007/s002140100287 ◽

2001 ◽

Vol 106 (6) ◽

pp. 379-392 ◽

Cited By ~ 38

Author(s):

Markus Reiher ◽

Bernd Artur Hess ◽

Dieter Sellmann

Keyword(s):

Hydrogen Bond ◽

Nitrogenase Activity ◽

Bond Energies ◽

Model Complexes ◽

New Approach ◽

Intramolecular Hydrogen ◽

Fragmentation method reveals a wide spectrum of intramolecular hydrogen bond energies in antioxidant natural products

New Journal of Chemistry ◽

10.1039/d0nj00304b ◽

2020 ◽

Vol 44 (15) ◽

pp. 5841-5849

Author(s):

Vijay Singh ◽

Ibrahim Ibnusaud ◽

Shridhar R. Gadre ◽

Milind M. Deshmukh

Keyword(s):

Hydrogen Bond ◽

Natural Products ◽

Wide Spectrum ◽

Bond Energies ◽

Intramolecular Hydrogen ◽

Very strong and weak IHBs in curcumin.

Further consideration of the gas–liquid chromatographic method for determining the intramolecular hydrogen bond energies with the example of 2-substituted phenols

Journal of Chromatography A ◽

10.1016/j.chroma.2006.07.057 ◽

2006 ◽

Vol 1132 (1-2) ◽

pp. 248-255 ◽

Cited By ~ 6

Author(s):

Igor M. Skvortsov ◽

Oleg E. Makarov ◽

Evgenii E. Fedorov

Keyword(s):

Hydrogen Bond ◽

Chromatographic Method ◽

Bond Energies ◽

Substituted Phenols ◽

Liquid Chromatographic Method ◽

Intramolecular Hydrogen ◽

Liquid Chromatographic ◽

Assessment of O–H⋯O and O–H⋯S intramolecular hydrogen bond energies in some substituted pyrimidines using quantum chemistry methods

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2021.107847 ◽

2021 ◽

Vol 104 ◽

pp. 107847

Author(s):

Pouya Karimi ◽

Mahmood Sanchooli ◽

Motahareh Kiyanee-Ghaleno

Keyword(s):

Hydrogen Bond ◽

Quantum Chemistry ◽

Bond Energies ◽

Intramolecular Hydrogen ◽

Intramolecular hydrogen bond energies

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science ◽

10.1007/bf00949583 ◽

1981 ◽

Vol 30 (3) ◽

pp. 403-409

Author(s):

R. R. Shagidullin ◽

A. Kh. Plyamovatyi

Keyword(s):

Hydrogen Bond ◽

Bond Energies ◽

Intramolecular Hydrogen ◽

A comparative study of cooperative effects between the intramolecular hydrogen bond and cation···π interaction in various complexes of ortho-aminobenzaldehyde with its thio and seleno analogous

Theoretical Chemistry Accounts ◽

10.1007/s00214-016-2047-x ◽

2017 ◽

Vol 136 (2) ◽

Cited By ~ 4

Author(s):

Alireza Nowroozi ◽

Omid Rezvani Rad

Keyword(s):

Hydrogen Bond ◽

Comparative Study ◽

Cooperative Effects ◽

Intramolecular Hydrogen

Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

The Journal of Physical Chemistry A ◽

10.1021/jp065836o ◽

2006 ◽

Vol 110 (45) ◽

pp. 12519-12523 ◽

Cited By ~ 45

Author(s):

Milind M. Deshmukh ◽

Shridhar R. Gadre ◽

Libero J. Bartolotti

Keyword(s):

Hydrogen Bond ◽

Bond Energy ◽

Hydrogen Bond Energy ◽

Intramolecular Hydrogen ◽

Molecular Tailoring

Intramolecular Hydrogen Bond Energy in Polyhydroxy Systems: A Critical Comparison of Molecular Tailoring and Isodesmic Approaches

The Journal of Physical Chemistry A ◽

10.1021/jp071337r ◽

2007 ◽

Vol 111 (28) ◽

pp. 6472-6480 ◽

Cited By ~ 38

Author(s):

Milind M. Deshmukh ◽

Cherumuttathu H. Suresh ◽

Shridhar R. Gadre

Keyword(s):

Hydrogen Bond ◽

Bond Energy ◽

Hydrogen Bond Energy ◽

Critical Comparison ◽

Intramolecular Hydrogen ◽

Molecular Tailoring

Experimental observations and CNDO/2 calculations for hydroxy stretching frequency shifts, intensities, and hydrogen bond energies of intramolecular hydrogen bonds in ortho-substituted phenols

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29790001743 ◽

1979 ◽

pp. 1743 ◽

Cited By ~ 28

Author(s):

Mamoru Takasuka ◽

Yoshiki Matsui

Keyword(s):

Hydrogen Bond ◽

Hydrogen Bonds ◽

Bond Energies ◽

Substituted Phenols ◽

Frequency Shifts ◽

Intramolecular Hydrogen Bonds ◽

Intramolecular Hydrogen ◽