Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach
出版年份 2022 全文链接
标题
Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach
作者
关键词
-
出版物
CHEMPHYSCHEM
Volume 23, Issue 10, Pages -
出版商
Wiley
发表日期
2022-03-18
DOI
10.1002/cphc.202200143
参考文献
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。- 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 the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started