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Full-Text Articles in Physics

Call For Abstracts - Resrb 2019, July 8-9, Wrocław, Poland, Wojciech M. Budzianowski Dec 2018

Call For Abstracts - Resrb 2019, July 8-9, Wrocław, Poland, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Hyperpolarization Of Silicon Nanoparticles With Tempo Radicals, Jingzhe Hu, Nicholas Whiting, Pratip Bhattacharya Mar 2018

Hyperpolarization Of Silicon Nanoparticles With Tempo Radicals, Jingzhe Hu, Nicholas Whiting, Pratip Bhattacharya

Nicholas Whiting

Silicon-based particles can be hyperpolarized via dynamic nuclear polarization to enhance 29Si magnetic resonance signals. Application of this technique to nanoscale silicon particles has been limited because of the low signal enhancements achieved; it is hypothesized that this is due to the low number of endogenous electronic defects inherent to the particles. We introduce a method of incorporating exogenous radicals into silicon nanoparticle suspensions in order to improve the hyperpolarization of 29Si nuclear spins to levels sufficient for in vivo MR imaging. Calibration of radical concentrations and polarization times are reported for a variety of silicon particle sizes (30−200 ...


Hyperpolarized Porous Silicon Nanoparticles: Potential Theragnostic Material For 29si Magnetic Resonance Imaging, Hyeonglim Seo, Ikjang Choi, Nicholas Whiting, Jingzhe Hu, Quy S. Luu, Shivanand Pudakalakatti, Caitlin Mccowan, Yaewon Kim, Niki Zacharias Millward, Seunghyun Lee, Pratip Bhattacharya, Youngbok Lee Dec 2017

Hyperpolarized Porous Silicon Nanoparticles: Potential Theragnostic Material For 29si Magnetic Resonance Imaging, Hyeonglim Seo, Ikjang Choi, Nicholas Whiting, Jingzhe Hu, Quy S. Luu, Shivanand Pudakalakatti, Caitlin Mccowan, Yaewon Kim, Niki Zacharias Millward, Seunghyun Lee, Pratip Bhattacharya, Youngbok Lee

Nicholas Whiting

Porous silicon nanoparticles have recently garnered attention as potentially-promising biomedical platforms for drug delivery and medical diagnostics. Here, we demonstrate porous silicon nanoparticles as contrast agents for 29Si magnetic resonance imaging. Size-controlled porous silicon nanoparticles were synthesized by magnesiothermic reduction of silica nanoparticles and were surface activated for further functionalization. Particles were hyperpolarized via dynamic nuclear polarization to enhance their 29Si MR signals; the particles demonstrated long 29Si spin-lattice relaxation (T1) times (~25 mins), which suggests potential applicability for medical imaging. Furthermore, 29Si hyperpolarization levels were sufficient to allow 29Si MRI in phantoms. These results underscore the potential of porous ...


Superconductivity At Т≈200 K In Bismuth Cuprates Synthesized Using Solar Energy, J. G. Chigvinadze, Juana Vivó Acrivos, S. M. Ashimov, D. D. Gulamova, G. J. Donadze Oct 2017

Superconductivity At Т≈200 K In Bismuth Cuprates Synthesized Using Solar Energy, J. G. Chigvinadze, Juana Vivó Acrivos, S. M. Ashimov, D. D. Gulamova, G. J. Donadze

Juana Vivó Acrivos

When investigating low-frequency (0.1 Hz) oscillations of multiphase high-temperature cuprate superconductors (HTCS) Bi1,7Pb0,3Sr2Ca(n-1)CunOy (n=2-30), a wide attenuation peak (ΔT~100 К) with a maximum at Т≈200 К was detected. This peak was particularly pronounced in field cooling (FC) experiments, i.e. after abrupt cooling of the sample in the external magnetic field at the temperature Т<Тс with subsequent slow warming up to room temperature with invariance of the applied field. The attenuation peak height depended on the preliminary
orientation (before cooling) of the samples θ in the measured permanent magnetic field Н ...


Spin-Imbalance In A 2d Fermi-Hubbard System, Peter T. Brown, Debayan Mitra, Elmer Guardado-Sanchez, Peter Schauß, Stanimir S. Kondov, Ehsan Khatami, Thereza Paiva, Nandini Trivedi, David A. Huse, Waseem S. Bakr Sep 2017

Spin-Imbalance In A 2d Fermi-Hubbard System, Peter T. Brown, Debayan Mitra, Elmer Guardado-Sanchez, Peter Schauß, Stanimir S. Kondov, Ehsan Khatami, Thereza Paiva, Nandini Trivedi, David A. Huse, Waseem S. Bakr

Ehsan Khatami

The interplay of strong interactions and magnetic fields gives rise to unusual forms of superconductivity and magnetism in quantum many-body systems. Here, we present an experimental study of the two-dimensional Fermi-Hubbard model—a paradigm for strongly correlated fermions on a lattice—in the presence of a Zeeman field and varying doping. Using site-resolved measurements, we revealed anisotropic antiferromagnetic correlations, a precursor to long-range canted order. We observed nonmonotonic behavior of the local polarization with doping for strong interactions, which we attribute to the evolution from an antiferromagnetic insulator to a metallic phase. Our results pave the way to experimentally mapping ...


C.V. - Wojciech Budzianowski, Wojciech M. Budzianowski Jan 2017

C.V. - Wojciech Budzianowski, Wojciech M. Budzianowski

Wojciech Budzianowski

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Renewable Energy And Sustainable Development (Resd) Group, Wojciech M. Budzianowski Jan 2017

Renewable Energy And Sustainable Development (Resd) Group, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Using Raman Spectroscopy To Improve Hyperpolarized Noble Gas Production For Clinical Lung Imaging Techniques, Jonathan R. Birchall, Nicholas Whiting, Jason G. Skinner, Michael J. Barlow, Boyd M. Goodson Dec 2016

Using Raman Spectroscopy To Improve Hyperpolarized Noble Gas Production For Clinical Lung Imaging Techniques, Jonathan R. Birchall, Nicholas Whiting, Jason G. Skinner, Michael J. Barlow, Boyd M. Goodson

Nicholas Whiting

Spin-exchange optical pumping (SEOP) can be used to “hyperpolarize” 129Xe for human lung MRI. SEOP involves transfer of angular momentum from light to an alkali metal (Rb) vapor, and then onto 129Xe nuclear spins during collisions; collisions between excited Rb and N2 ensure that incident optical energy is nonradiatively converted into heat. However, because variables that govern SEOP are temperature-dependent, the excess heat can complicate efforts to maximize spin polarization—particularly at high laser fluxes and xenon densities. Ultra-low frequency Raman spectroscopy may be used to perform in situ gas temperature measurements to investigate the interplay of energy thermalization and ...


Alamethicin In Lipid Bilayers: Combined Use Of X-Ray Scattering And Md Simulations, Jianjun Pan, D. Peter Tieleman, John F. Nagle, Norbert Kučerka, Prof. Stephanie Tristram-Nagle Ph.D. Aug 2016

Alamethicin In Lipid Bilayers: Combined Use Of X-Ray Scattering And Md Simulations, Jianjun Pan, D. Peter Tieleman, John F. Nagle, Norbert Kučerka, Prof. Stephanie Tristram-Nagle Ph.D.

John Copeland Nagle

We study fully hydrated bilayers of two di-monounsaturated phospholipids diC18:1PC (DOPC) and diC22:1PC with varying amounts of alamethicin (Alm). We combine the use of X-ray diffuse scattering and molecular dynamics simulations to determine the orientation of alamethicin in model lipids. Comparison of the experimental and simulated form factors shows that Alm helices are inserted transmembrane at high humidity and high concentrations, in agreement with earlier results. The X-ray scattering data and the MD simulations agree that membrane thickness changes very little up to 1/10 Alm/ DOPC. In contrast, the X-ray data indicate that the thicker diC22:1PC ...


Developing Hyperpolarized Silicon Particles For In Vivo Mri Targeting Of Ovarian Cancer, Nicholas Whiting, Jingzhe Hu, Niki M. Zacharias, Ganesh L. R. Lokesh, David E. Volk, David G. Menter, Rajesha Rupaimoole, Rebecca Previs, Anil K. Sood, Pratip Bhattacharya Aug 2016

Developing Hyperpolarized Silicon Particles For In Vivo Mri Targeting Of Ovarian Cancer, Nicholas Whiting, Jingzhe Hu, Niki M. Zacharias, Ganesh L. R. Lokesh, David E. Volk, David G. Menter, Rajesha Rupaimoole, Rebecca Previs, Anil K. Sood, Pratip Bhattacharya

Nicholas Whiting

Silicon-based nanoparticles are ideally suited for use as biomedical imaging agents due to their biocompatibility, biodegradability, and simple surface chemistry that facilitates drug loading and targeting. A method of hyperpolarizing silicon particles using dynamic nuclear polarization, which increases magnetic resonance imaging signals by several orders-of-magnitude through enhanced nuclear spin alignment, has recently been developed to allow silicon particles to function as contrast agents for in vivo magnetic resonance imaging. The enhanced spin polarization of silicon lasts significantly longer than other hyperpolarized agents (tens of minutes, whereas <1  min for other species at room temperature), allowing a wide range of potential ...


The Treatment Of Exchange In Path Integral Simulations Via An Approximate Pseudopotential, Randall W. Hall Jun 2016

The Treatment Of Exchange In Path Integral Simulations Via An Approximate Pseudopotential, Randall W. Hall

Randall W. Hall

An approximate form that includes the effects of exchange is suggested for the short time propagator used in path integral simulations. The form is inspired physically by the approximation made in Hartree–Fock treatments of atoms and molecules. The approximate propagator is used with q u a n t i t a t i v e accuracy in two systems: an ideal gas of fermions localized in a three‐dimensional harmonic well and the triplet state of the sodium dimer.


Path Integral Study Of The Correlated Electronic States Of Na4–Na6, Randall W. Hall Jun 2016

Path Integral Study Of The Correlated Electronic States Of Na4–Na6, Randall W. Hall

Randall W. Hall

Feynman’s path integral formulation of quantum mechanics is used to study the correlated electronic states of Na4–Na6. Two types of simulations are performed: in the first, the nuclei are allowed to move at finite temperature in order to find the most stable geometries. In agreement with previous calculations, we find that planar structures are the most stable and that there is significant vibrational amplitude at finite temperatures, indicating that the Born–Oppenheimer surface is relatively flat. In the second type of simulation, the nuclei are held fixed at symmetric and asymmetric geometries and the correlated electron density is ...


Procesy Cieplne I Aparaty (Lab), Wojciech M. Budzianowski Jan 2016

Procesy Cieplne I Aparaty (Lab), Wojciech M. Budzianowski

Wojciech Budzianowski

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Inżynieria Chemiczna Lab., Wojciech M. Budzianowski Jan 2016

Inżynieria Chemiczna Lab., Wojciech M. Budzianowski

Wojciech Budzianowski

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Interrogating Metabolism In Brain Cancer, Travis Salzillo, Jingzhe Hu, Linda Nguyen, Nicholas Whiting, Jaehyuk Lee, Joseph Weygand, Prasanta Dutta, Shivanand Pudakalakatti, Niki Zacharias Millward, Seth Gammon, Frederick F. Lang, Amy B. Heimberger, Pratip Bhattacharya Dec 2015

Interrogating Metabolism In Brain Cancer, Travis Salzillo, Jingzhe Hu, Linda Nguyen, Nicholas Whiting, Jaehyuk Lee, Joseph Weygand, Prasanta Dutta, Shivanand Pudakalakatti, Niki Zacharias Millward, Seth Gammon, Frederick F. Lang, Amy B. Heimberger, Pratip Bhattacharya

Nicholas Whiting

Many existing and emerging techniques of interrogating metabolism in brain cancer are at an early stage of development. A few clinical trials that employ these techniques are in progress in patients with brain cancer to establish the clinical efficacy of these techniques. It is likely that in vivo metabolomics and metabolic imaging is the next frontier in brain cancer diagnosis and assessing therapeutic efficacy.


Crystal Structure Of The Alcanivorax Borkumensis Ydah Transporter Reveals An Unusual Topology, Jani Reddy Bolla, Chih-Chia Su, Jared A. Delmar, Pattathil Radhakrishnan, Nitin Kumar, Tsung-Han Chou, Feng Long, Kanagalaghatta R. Rajashankar, Edward Yu Dec 2015

Crystal Structure Of The Alcanivorax Borkumensis Ydah Transporter Reveals An Unusual Topology, Jani Reddy Bolla, Chih-Chia Su, Jared A. Delmar, Pattathil Radhakrishnan, Nitin Kumar, Tsung-Han Chou, Feng Long, Kanagalaghatta R. Rajashankar, Edward Yu

Edward Yu

The potential of the folic acid biosynthesis pathway as a target for the development of antibiotics has been clinically validated. However, many pathogens have developed resistance to these antibiotics, prompting a re-evaluation of potential drug targets within the pathway. The ydaH gene of Alcanivorax borkumensis encodes an integral membrane protein of the AbgT family of transporters for which no structural information was available. Here we report the crystal structure of A. borkumensis YdaH, revealing a dimeric molecule with an architecture distinct from other families of transporters. YdaH is a bowl-shaped dimer with a solvent-filled basin extending from the cytoplasm to ...


Ab Initio Study Of Formazan And 3-Nitroformazan, G. Buemi, F. Zuccarello, P. Venuvanalingam, M. Ramalingam, Salai Ammal May 2015

Ab Initio Study Of Formazan And 3-Nitroformazan, G. Buemi, F. Zuccarello, P. Venuvanalingam, M. Ramalingam, Salai Ammal

Salai C. Ammal

Formazan and 3-nitroformazan have been investigated at abinitio level (MP2/6-31G** and B3LYP/6-31G**) in all their possible conformations, for studying the various possibilities of intramolecular hydrogen bonding formation. The trans-syn-s-cis (TSSC), known also asyellowform, has been found to be the most stable conformer (at least in the gas phase) in both compounds. This particular structure is strongly stabilized by a N–H···N hydrogen bridge, which gives rise to a hexatomic chelate ring, with the possibility of a proton transfer process.This closely resembles that of malondialdehyde, previously studied, in the evolution of the potential energy shape but with ...


Dynamic Path Bifurcation For The Beckmann Reaction: Observation And Implication, H. Yamataka, M. Sato, H. Hasegawa, Salai Ammal May 2015

Dynamic Path Bifurcation For The Beckmann Reaction: Observation And Implication, H. Yamataka, M. Sato, H. Hasegawa, Salai Ammal

Salai C. Ammal

The reaction of oximes to amides, known as the Beckmann rearrangement, may undergo fragmentation to form carbocations + nitriles instead of amides when the cations have reasonable stability. The reactions of oxime derivatives of 1-substituted-phenyl-2-propanones and 3-substituted-phenyl-2-butanones in aqueous solvents gave both rearrangement and fragmentation products, the ratio of which was dependent on substituents. Transition state (TS) optimizations and intrinsic reaction coordinate (IRC) calculations for the reaction of 1-phenyl-2-propanone oximes showed that there is a single TS for each substituted compound. The IRC path from the TS either led to a rearrangement product or a fragmentation product depending on the substituent ...


Ab Initio And Dft Investigations Of Lithium/Hydrogen Bonded Complexes Of Trimethylamine, Dimethyl Ether And Dimethyl Sulfide, Salai Ammal, P. Venuvanalingam May 2015

Ab Initio And Dft Investigations Of Lithium/Hydrogen Bonded Complexes Of Trimethylamine, Dimethyl Ether And Dimethyl Sulfide, Salai Ammal, P. Venuvanalingam

Salai C. Ammal

Ab initio and DFT computations have been carried out on LiF and HF complexes of a set of n-donors viz. trimethylamine, dimethyl ether and dimethyl sulfide with a 6-31++G(d,p) basis set. The effect of correlation has been included with MP2, MP4 and DFT calculations. NBO analyses of the wavefunctions have been performed to examine the intermolecular interaction at the orbital level. Calculations reveal that these donors form strong n→σ* complexes and computed binding energies of the (CH3)2O···HF complex agree very well with the experimental binding energies from IR spectroscopy. LiF forms stronger ...


Sucralose Destabilization Of Protein Structure, Christina M. Othon Mar 2015

Sucralose Destabilization Of Protein Structure, Christina M. Othon

Christina M Othon

Sucralose is a commonly employed artificial sweetener that behaves very differently than its natural disaccharide counterpart, sucrose, in terms of its interaction with biomolecules. The presence of sucralose in solution is found to destabilize the native structure of two model protein systems: the globular protein bovine serum albumin and an enzyme staphylococcal nuclease. The melting temperature of these proteins decreases as a linear function of sucralose concentration. We correlate this destabilization to the increased polarity of the molecule. The strongly polar nature is manifested as a large dielectric friction exerted on the excited-state rotational diffusion of tryptophan using time-resolved fluorescence ...


Importance And Reliability Of Small Basis Set Ccsd(T) Corrections To Mp2 Binding And Relative Energies Of Water Clusters, Berhane Temelso, Carla Renner, George Shields Mar 2015

Importance And Reliability Of Small Basis Set Ccsd(T) Corrections To Mp2 Binding And Relative Energies Of Water Clusters, Berhane Temelso, Carla Renner, George Shields

Berhane Temelso

MP2 describes hydrogen-bonded systems well, yet a higher-order electron correlation correction in the form of a CCSD(T) calculation is usually necessary to achieve benchmark quality energies. We evaluated the importance and reliability of small basis set CCSD(T) corrections to MP2(δCCSD(T)) both on the binding (ΔE) and relative (ΔΔE) MP2 energies for a large number of systems including four water dimer stationary points and 57 other clusters up to undecamers, (H2O)11. By comparing the MP2 energies with CCSD(T) and the explicitly correlated MP2-F12 energies with variants of CCSD(T)-F12 using different basis sets, we ...


Real-Time Mri-Guided Catheter Tracking Using Hyperpolarized Silicon Particles, Nicholas Whiting, Jingzhe Hu, Jay V. Shah, Maja C. Cassidy, Erik Cressman, Niki Zacharias Millward, David G. Menter, Charles M. Marcus, Pratip K. Bhattacharya Jan 2015

Real-Time Mri-Guided Catheter Tracking Using Hyperpolarized Silicon Particles, Nicholas Whiting, Jingzhe Hu, Jay V. Shah, Maja C. Cassidy, Erik Cressman, Niki Zacharias Millward, David G. Menter, Charles M. Marcus, Pratip K. Bhattacharya

Nicholas Whiting

Visualizing the movement of angiocatheters during endovascular interventions is typically accomplished using x-ray fluoroscopy. There are many potential advantages to developing magnetic resonance imaging-based approaches that will allow three-dimensional imaging of the tissue/vasculature interface while monitoring other physiologically-relevant criteria, without exposing the patient or clinician team to ionizing radiation. Here we introduce a proof-of-concept development of a magnetic resonance imaging-guided catheter tracking method that utilizes hyperpolarized silicon particles. The increased signal of the silicon particles is generated via low-temperature, solid-state dynamic nuclear polarization, and the particles retain their enhanced signal for ≥40 minutes—allowing imaging experiments over extended time ...


Inżynieria Chemiczna Ćw., Wojciech M. Budzianowski Jan 2015

Inżynieria Chemiczna Ćw., Wojciech M. Budzianowski

Wojciech Budzianowski

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Tematyka Prac Doktorskich, Wojciech M. Budzianowski Jan 2015

Tematyka Prac Doktorskich, Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Zespół Energii Odnawialnej I Zrównoważonego Rozwoju (Eozr), Wojciech M. Budzianowski Dec 2014

Zespół Energii Odnawialnej I Zrównoważonego Rozwoju (Eozr), Wojciech M. Budzianowski

Wojciech Budzianowski

No abstract provided.


Spin-Exchange Optical Pumping At High Xenon Densities And Laser Fluxes: Principles And Practice, Boyd M. Goodson, Nicholas Whiting, Hayley Newton, Jason G. Skinner, Kaili Ranta, Panayiotis Nikolaou, Michael J. Barlow, Eduard Y. Chekmenev Dec 2014

Spin-Exchange Optical Pumping At High Xenon Densities And Laser Fluxes: Principles And Practice, Boyd M. Goodson, Nicholas Whiting, Hayley Newton, Jason G. Skinner, Kaili Ranta, Panayiotis Nikolaou, Michael J. Barlow, Eduard Y. Chekmenev

Nicholas Whiting

Once limited to the realm of fundamental physics experiments, hyperpolarized (HP) noble gases have been exploited for a wide range of applications across NMR and MRI. In most cases, hyperpolarized noble gases are prepared by spin-exchange optical pumping (SEOP)...


Hyperpolarization Methods For Mrs, Boyd M. Goodson, Nicholas Whiting, Aaron M. Coffey, Panayiotis Nikolaou, Fan Shi, Brogan M. Gust, Maxwell E. Gemeinhardt, Roman Shchepin, Jason G. Skinner, Jonathan R. Birchall, Michael J. Barlow, Eduard Y. Chekmenev Dec 2014

Hyperpolarization Methods For Mrs, Boyd M. Goodson, Nicholas Whiting, Aaron M. Coffey, Panayiotis Nikolaou, Fan Shi, Brogan M. Gust, Maxwell E. Gemeinhardt, Roman Shchepin, Jason G. Skinner, Jonathan R. Birchall, Michael J. Barlow, Eduard Y. Chekmenev

Nicholas Whiting

This article covers the fundamental principles and practice of NMR hyperpolarization techniques, which are proving useful for in vivo magnetic resonance spectroscopy (MRS) studies of metabolism in animal models, and clinical trials with hyper-enhanced sensitivity. Fundamentally, hyperpolarization methods enhance nuclear spin polarization by orders-of-magnitude, resulting in concomitant improvement in NMR detection sensitivity. The hyperpolarization methods described here – dynamic nuclear polarization (DNP), para-hydrogen induced polarization (PHIP), signal amplification by reversible exchange (SABRE), and spin-exchange optical pumping (SEOP) – are capable of achieving nuclear spin polarization approaching the theoretical maximum of unity on nuclear spin sites of molecular or atomic agents suitable for ...


Photodissociation Of Bulk Nitrobenzene At 250, 266, And 280 Nm Using A Picosecond Laser.Pdf, Chakree Tanjaroon, Christopher J. Lue, Scott Reeve, Susan D. Allen, J. Bruce Johnson Dec 2014

Photodissociation Of Bulk Nitrobenzene At 250, 266, And 280 Nm Using A Picosecond Laser.Pdf, Chakree Tanjaroon, Christopher J. Lue, Scott Reeve, Susan D. Allen, J. Bruce Johnson

Scott Reeve

No abstract provided.


Quantitative Mid-Infrared Spectra Of Allene And Propyne From Room To High Temperatures, Et. Es-Sebbar, A. Jolly, Y. Benilan, A. Farooq Sep 2014

Quantitative Mid-Infrared Spectra Of Allene And Propyne From Room To High Temperatures, Et. Es-Sebbar, A. Jolly, Y. Benilan, A. Farooq

Dr. Et-touhami Es-sebbar

Allene (a-C3H4; CH2CCH2) and propyne (p-C3H4; CH3C2H) have attracted much interest because of their relevance to the photochemistry in astrophysical environments as well as in combustion processes. Both allene and propyne have strong absorption in the infrared region. In the present work, infrared spectra of a-C3H4 and p-C3H4 are measured in the gas phase at temperatures ranging from 296 to 510 K. The spectra are measured over the 580–3400 cm−1 spectral region at resolutions of 0.08 and 0.25 cm−1 using Fourier Transform Infrared spectroscopy. Absolute integrated intensities of the main infrared bands are determined at ...


Computational Study Of The Hydration Of Sulfuric Acid Dimers: Implications For Acid Dissociation And Aerosol Formation, Berhane Temelso, Thuong Ngoc Phan, George C. Shields Sep 2014

Computational Study Of The Hydration Of Sulfuric Acid Dimers: Implications For Acid Dissociation And Aerosol Formation, Berhane Temelso, Thuong Ngoc Phan, George C. Shields

Berhane Temelso

We have investigated the thermodynamics of sulfuric acid dimer hydration using ab initio quantum mechanical methods. For (H2SO4)2(H2O)n where n = 0−6, we employed high-level ab initio calculations to locate the most stable minima for each cluster size. The results presented herein yield a detailed understanding of the first deprotonation of sulfuric acid as a function of temperature for a system consisting of two sulfuric acid molecules and up to six waters. At 0 K, a cluster of two sulfuric acid molecules and one water remains undissociated. Addition of a second water begins the deprotonation of the ...