Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach
Published 2022 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach
Authors
Keywords
-
Journal
CHEMPHYSCHEM
Volume 23, Issue 10, Pages -
Publisher
Wiley
Online
2022-03-18
DOI
10.1002/cphc.202200143
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy
- (2021) Milind M. Deshmukh et al. MOLECULES
- Thermodynamic properties of forming methanol-water and ethanol-water clusters at various temperatures and pressures and implications for atmospheric chemistry: A DFT study
- (2021) Jagannath Pal et al. CHEMOSPHERE
- Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters
- (2021) Mini Bharati Ahirwar et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters, (HF)n, n = 3 to 8, Revealed by the Molecular Tailoring Approach
- (2021) Deepak Patkar et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Assessment of hydrogen bond strengths and cooperativity in self- and cross-associating cyclic (HF)m(H2O)n (m + n = 2 to 8) clusters
- (2021) Deepak Patkar et al. NEW JOURNAL OF CHEMISTRY
- Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, Wn, n = 3 to 8
- (2020) Mini Bharati Ahirwar et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
- (2016) Michele Ceriotti et al. CHEMICAL REVIEWS
- Using the C–O stretch to unravel the nature of hydrogen bonding in low-temperature solid methanol–water condensates
- (2016) Anita Dawes et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Structural properties of methanol–water binary mixtures within the quantum cluster equilibrium model
- (2015) G. Matisz et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ab Initio Quantum Mechanical Description of Noncovalent Interactions at Its Limits: Approaching the Experimental Dissociation Energy of the HF Dimer
- (2014) Jan Řezáč et al. Journal of Chemical Theory and Computation
- Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion terms
- (2014) Suehiro Iwata PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Theoretical investigation of gas phase ethanol-(water)n(n= 1-5) clusters and comparison with gas phase pure water clusters (water)n(n= 2-6)
- (2012) Guangzhan Han et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Hydrogen Bond Energies and Cooperativity in Substituted Calix[n]arenes (n = 4, 5)
- (2012) Jayshree K. Khedkar et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers
- (2011) Milind M. Deshmukh et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Quantum nature of the hydrogen bond
- (2011) X.-Z. Li et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Ab Initio and DFT Studies on Methanol−Water Clusters
- (2010) Abhishek Mandal et al. JOURNAL OF PHYSICAL CHEMISTRY A
- High-Level Ab Initio Electronic Structure Calculations of Water Clusters (H2O)16 and (H2O)17: A New Global Minimum for (H2O)16
- (2010) Soohaeng Yoo et al. Journal of Physical Chemistry Letters
- Improved minima-hopping. TIP4P water clusters, (H2O)n with n⩽37
- (2009) Sergey Kazachenko et al. CHEMICAL PHYSICS LETTERS
- Estimation of N−H···O═C Intramolecular Hydrogen Bond Energy in Polypeptides
- (2009) Milind M. Deshmukh et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Water–methanol mixtures: topology of hydrogen bonded network
- (2008) Imre Bakó et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Intramolecular Hydrogen Bonding and Cooperative Interactions in Carbohydrates via the Molecular Tailoring Approach
- (2007) Milind M. Deshmukh et al. JOURNAL OF PHYSICAL CHEMISTRY A
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More