Search Results - "Collins, Michael A."

The Combined Fragmentation and Systematic Molecular Fragmentation Methods by Collins, Michael A, Cvitkovic, Milan W, Bettens, Ryan P. A

“…Conspectus Chemistry, particularly organic chemistry, is mostly concerned with functional groups: amines, amides, alcohols, ketones, and so forth. This is…”
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Microsolvation within the Systematic Molecular Fragmentation by Annihilation Approach by Kobayashi, Rika, Amos, Roger, Collins, Michael A

“…We have applied the systematic molecular fragmentation by annihilation (SMFA) fragmentation technique to glycine and DNA base pairs in water clusters, systems…”
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Neuroinflammation and neurodegeneration in adult rat brain from binge ethanol exposure: abrogation by docosahexaenoic acid by Tajuddin, Nuzhath, Moon, Kwan-Hoon, Marshall, S Alex, Nixon, Kimberly, Neafsey, Edward J, Kim, Hee-Yong, Collins, Michael A

“…Evidence that brain edema and aquaporin-4 (AQP4) water channels have roles in experimental binge ethanol-induced neurodegeneration has stimulated interest in…”
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Alcohol in Moderation, Cardioprotection, and Neuroprotection: Epidemiological Considerations and Mechanistic Studies by Collins, Michael A., Neafsey, Edward J., Mukamal, Kenneth J., Gray, Mary O., Parks, Dale A., Das, Dipak K., Korthuis, Ronald J.

“…In contrast to many years of important research and clinical attention to the pathological effects of alcohol (ethanol) abuse, the past several decades have…”
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Depression of reactivity by the collision energy in the single barrier H + CD₄ [rightward arrow] HD + CD₃ reaction by Zhang, Weiqing, Zhou, Yong, Wu, Guorong, Lu, Yunpeng, Pan, Huilin, Fu, Bina, Shuai, Quan, Liu, Lan, Liu, Shu, Zhang, Liling, Jiang, Bo, Dai, Dongxu, Lee, Soo-Ying, Xie, Zeng, Braams, Bastiaan J, Bowman, Joel M, Collins, Michael A, Zhang, Dong H, Yang, Xueming

“…Crossed molecular beam experiments and accurate quantum scattering calculations have been carried out for the polyatomic H + CD₄ [rightward arrow] HD + CD₃…”
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Systematic Fragmentation Method and the Effective Fragment Potential: An Efficient Method for Capturing Molecular Energies by Mullin, Jonathan M, Roskop, Luke B, Pruitt, Spencer R, Collins, Michael A, Gordon, Mark S

“…The systematic fragmentation method fragments a large molecular system into smaller pieces, in such a way as to greatly reduce the computational cost while…”
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Energy-Based Molecular Fragmentation Methods by Collins, Michael A, Bettens, Ryan P. A

“…Collins and Bettens explore energy-based molecular fragmentation methods. They focus on methods and principles, including generalized energy-based…”
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Can Systematic Molecular Fragmentation Be Applied to Direct Ab Initio Molecular Dynamics? by Collins, Michael A

“…This paper demonstrates that systematic molecular fragmentation can be applied to direct ab initio molecular dynamics of solvated molecules under periodic…”
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Reaction Dynamics of H3 + + CO on an Interpolated Potential Energy Surface by Le, Hai-Anh, Frankcombe, Terry J, Collins, Michael A

“…An accurate potential energy surface for H3 + + CO has been constructed by interpolation of ab initio data. The reaction cross sections and thermal rate…”
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Accelerating the Calculation of Solute–Solvent Interaction Energies through Systematic Molecular Fragmentation by Collins, Michael A, Ho, Junming

“…The method of systematic molecular fragmentation by annihilation (SMFA) is modified to apply to the interaction energy between a solute and solvent, where the…”
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Application of the Systematic Molecular Fragmentation by Annihilation Method to ab Initio NMR Chemical Shift Calculations by Kobayashi, Rika, Amos, Roger D, Reid, David M, Collins, Michael A

“…NMR is a powerful tool for obtaining information on the structural characterization and dynamics of proteins, and nucleic acids, and their complexes. The…”
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Systematic Study of Locally Dense Basis Sets for NMR Shielding Constants by Reid, David M, Kobayashi, Rika, Collins, Michael A

“…This paper presents a systematic study of partitioning schemes for locally dense basis sets in the context of NMR shielding calculations. The partitionings…”
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Approximating CCSD(T) Nuclear Magnetic Shielding Calculations Using Composite Methods by Reid, David M, Collins, Michael A

“…A series of composite method approximations for the computationally efficient calculation of NMR shieldings has been developed. These approximations utilize…”
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Moderate blood alcohol and brain neurovulnerability: Selective depletion of calcium‐independent phospholipase A2, omega‐3 docosahexaenoic acid, and its synaptamide derivative as a potential harbinger of deficits in anti‐inflammatory reserve by Schreiber, Jennifer A., Tajuddin, Nuzhath F., Kouzoukas, Dimitrios E., Kevala, Karl, Kim, Hee‐Yong, Collins, Michael A.

“…Background Repetitive, highly elevated blood alcohol (ethanol) concentrations (BACs) of 350 to 450 mg/dl over several days cause brain neurodegeneration and…”
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Moderate alcohol consumption and cognitive risk by Neafsey, Edward J, Collins, Michael A

“…We reviewed 143 papers that described the relationship between moderate drinking of alcohol and some aspect of cognition. Two types of papers were found: (1)…”
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Effects of exposure to sex-stereotyped video game characters on tolerance of sexual harassment by Dill, Karen E., Brown, Brian P., Collins, Michael A.

“…The violent video game literature has previously not extended to the domain of violence against women. The current investigation tested the effects of exposure…”
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PARP inhibition in vivo blocks alcohol-induced brain neurodegeneration and neuroinflammatory cytosolic phospholipase A2 elevations by Kouzoukas, Dimitrios E., Schreiber, Jennifer A., Tajuddin, Nuzhath F., Kaja, Simon, Neafsey, Edward J., Kim, Hee-Yong, Collins, Michael A.

“…Chronic alcoholism promotes brain damage that impairs memory and cognition. High binge alcohol levels in adult rats also cause substantial neurodamage to…”
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Molecular electrostatic potentials by systematic molecular fragmentation by Reid, David M, Collins, Michael A

“…A simple method is presented for estimating the molecular electrostatic potential in and around molecules using systematic molecular fragmentation. This…”
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Ethanol preconditioning of rat cerebellar cultures targets NMDa receptors to the synapse and enhances peroxiredoxin 2 EXPRESSION by Mitchell, Robert M, Tajuddin, Nuzhath, Campbell, Edward M, Neafsey, Edward J, Collins, Michael A

“…Abstract Epidemiological studies indicate that light-moderate alcohol (ethanol) consumers tend to have reduced risks of cognitive impairment and progression to…”
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Molecular potential-energy surfaces for chemical reaction dynamics by Collins, Michael A.

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