On the Short-Range Nature of Cooperativity in Hydrogen-Bonded Large Molecular Clusters

Two-Step ONIOM Method for the Accurate Estimation of Individual Hydrogen Bond Energy in Large Molecular Clusters

(2023) Mini Bharati Ahirwar et al.   Journal of Physical Chemistry A

Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach

(2022) Deepak Patkar et al.   CHEMPHYSCHEM

A Tug of War between the Self‐ and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach

(2022) Deepak Patkar et al.   CHEMPHYSCHEM

Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy

(2021) Milind M. Deshmukh et al.   MOLECULES

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

Interacting Quantum Atoms—A Review

(2020) José Manuel Guevara-Vela et al.   MOLECULES

Water Determines the Structure and Dynamics of Proteins

(2016) Marie-Claire Bellissent-Funel et al.   CHEMICAL REVIEWS

Hydrogen bond cooperativity and anticooperativity within the water hexamer

(2016) José Manuel Guevara-Vela et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen Bond Cooperativity and the Three-Dimensional Structures of Water Nonamers and Decamers

(2014) Cristóbal Pérez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Recent Advances in the Chemistry of Hydrogen Trioxide (HOOOH)

(2013) Janez Cerkovnik et al.   CHEMICAL REVIEWS

Theoretical Approach for the Structures, Energetics and Spectroscopic Properties of (H2O3)n(n = 1-5) Clusters

(2012) Hyun-Il Seo et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

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

Hydrogen Bonding in Water Clusters and Their Ionized Counterparts

(2010) Y. Indra Neela et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Core ionization of Na+ microsolvated in water and ammonia

(2009) Nikolai V. Kryzhevoi et al.   JOURNAL OF CHEMICAL PHYSICS

Estimation of N−H···O═C Intramolecular Hydrogen Bond Energy in Polypeptides

(2009) Milind M. Deshmukh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dihydrogen Trioxide Clusters, (HOOOH)n(n= 2−4), and the Hydrogen-Bonded Complexes of HOOOH with Acetone and Dimethyl Ether: Implications for the Decomposition of HOOOH

(2008) Saša Kovačič et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intramolecular Hydrogen Bonding and Cooperative Interactions in Carbohydrates via the Molecular Tailoring Approach

(2007) Milind M. Deshmukh et al.   JOURNAL OF PHYSICAL CHEMISTRY A