Anchoring the hydrogen sulfide dimer potential energy surface to juxtapose (H2S)2 with (H2O)2

Performance of polarization-consistent vs. correlation-consistent basis sets for CCSD(T) prediction of water dimer interaction energy

(2019) Teobald Kupka et al.   JOURNAL OF MOLECULAR MODELING

The water dimer II: Theoretical investigations

(2018) Anamika Mukhopadhyay et al.   CHEMICAL PHYSICS LETTERS

H2S Dimer is Hydrogen Bonded: Direct Confirmation from Microwave Spectroscopy

(2018) Arijit Das et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Examination of the structures, energetics, and vibrational frequencies of small sulfur-containing prototypical dimers, (H2 S)2 and H2 O/H2 S

(2018) Katelyn M. Dreux et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Dynamics Simulations of Small Clusters and Liquid Hydrogen Sulfide at Different Thermodynamic Conditions

(2016) M. Albertí et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Possible “Magnéli” Phases and Self-Alloying in the Superconducting Sulfur Hydride

(2016) Ryosuke Akashi et al.   PHYSICAL REVIEW LETTERS

Nature and strength of sulfur-centred hydrogen bonds: laser spectroscopic investigations in the gas phase and quantum-chemical calculations

(2015) Himansu S. Biswal et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Acid–Base Formalism in Dispersion-Stabilized S–H···Y (Y═O, S) Hydrogen-Bonding Interactions

(2015) Aditi Bhattacherjee et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system

(2015) A. P. Drozdov et al.   NATURE

High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor

(2015) Ion Errea et al.   PHYSICAL REVIEW LETTERS

Anchoring the potential energy surface of an important atmospheric van der Waals dimer, the H 2 O⋯O 2 complex

(2015) Katelyn M. Dreux et al.   Computational and Theoretical Chemistry

The metallization and superconductivity of dense hydrogen sulfide

(2014) Yinwei Li et al.   JOURNAL OF CHEMICAL PHYSICS

Simulation of Liquid and Supercritical Hydrogen Sulfide and of Alkali Ions in the Pure and Aqueous Liquid

(2014) Esam A. Orabi et al.   Journal of Chemical Theory and Computation

Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations

(2014) J. Coleman Howard et al.   Journal of Chemical Theory and Computation

The Intermolecular SH⋅⋅⋅Y (Y=S,O) Hydrogen Bond in the H2S Dimer and the H2S-MeOH Complex

(2013) Aditi Bhattacherjee et al.   CHEMPHYSCHEM

Anchoring the potential energy surface of the nitrogen/water dimer, N2⋯H2O, with explicitly correlated coupled-cluster computations

(2013) Thomas L. Ellington et al.   Computational and Theoretical Chemistry

Hydrogen Sulfide in the Mammalian Cardiovascular System

(2012) Yi-Hong Liu et al.   ANTIOXIDANTS & REDOX SIGNALING

Biology and therapeutic potential of hydrogen sulfide and hydrogen sulfide-releasing chimeras

(2012) Khosrow Kashfi et al.   BIOCHEMICAL PHARMACOLOGY

Local vibrational modes of the water dimer – Comparison of theory and experiment

(2012) R. Kalescky et al.   CHEMICAL PHYSICS LETTERS

CCSDTQ Optimized Geometry of Water Dimer

(2012) Joseph R. Lane   Journal of Chemical Theory and Computation

NOSH-Aspirin: A Novel Nitric Oxide–Hydrogen Sulfide-Releasing Hybrid: A New Class of Anti-inflammatory Pharmaceuticals

(2012) Ravinder Kodela et al.   ACS Medicinal Chemistry Letters

Hydrogen Sulfide: An Endogenous Mediator of Resolution of Inflammation and Injury

(2011) John L. Wallace et al.   ANTIOXIDANTS & REDOX SIGNALING

Benchmark Interaction Energies for Biologically Relevant Noncovalent Complexes Containing Divalent Sulfur

(2011) Benjamin J. Mintz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab initio intermolecular potential energy surface and thermophysical properties of hydrogen sulfide

(2011) Robert Hellmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12

(2010) Christof Hättig et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis and Biological Effects of Hydrogen Sulfide (H2S): Development of H2S-Releasing Drugs as Pharmaceuticals

(2010) Giuseppe Caliendo et al.   JOURNAL OF MEDICINAL CHEMISTRY

Explicitly correlated coupled cluster methods with pair-specific geminals

(2010) Hans-Joachim Werner et al.   MOLECULAR PHYSICS

Hydrogen sulfide and inflammation: the good, the bad, the ugly and the promising

(2010) Matthew Whiteman et al.   Expert Review of Clinical Pharmacology

On the incremental evaluation of BSSE-free interaction energies

(2009) Katarzyna Walczak et al.   CHEMICAL PHYSICS

Making and working with hydrogen sulfide

(2009) Martin N. Hughes et al.   FREE RADICAL BIOLOGY AND MEDICINE

Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes

(2009) Joseph R. Lane et al.   JOURNAL OF CHEMICAL PHYSICS

Simplified CCSD(T)-F12 methods: Theory and benchmarks

(2009) Gerald Knizia et al.   JOURNAL OF CHEMICAL PHYSICS

Characterization of a Novel, Water-Soluble Hydrogen Sulfide–Releasing Molecule (GYY4137)

(2008) Ling Li et al.   CIRCULATION

Pharmacological profile of a novel H2S-releasing aspirin

(2008) Anna Sparatore et al.   FREE RADICAL BIOLOGY AND MEDICINE

Optimized auxiliary basis sets for explicitly correlated methods

(2008) Kazim E. Yousaf et al.   JOURNAL OF CHEMICAL PHYSICS

Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar

(2008) Kirk A. Peterson et al.   JOURNAL OF CHEMICAL PHYSICS