Matrix-formation dynamics dictate methyl nitrite conformer abundance (English)
- New search for: Hockey, Emily K.
- New search for: McLane, Nathan
- New search for: Vlahos, Korina
- New search for: McCaslin, Laura M.
- New search for: Dodson, Leah G.
- New search for: Hockey, Emily K.
- New search for: McLane, Nathan
- New search for: Vlahos, Korina
- New search for: McCaslin, Laura M.
- New search for: Dodson, Leah G.
In:
The Journal of Chemical Physics
;
160
, 9
;
12
;
2024
- Article (Journal) / Electronic Resource
-
Title:Matrix-formation dynamics dictate methyl nitrite conformer abundance
-
Additional title:Hockey et al.
-
Contributors:Hockey, Emily K. ( author ) / McLane, Nathan ( author ) / Vlahos, Korina ( author ) / McCaslin, Laura M. ( author ) / Dodson, Leah G. ( author )
-
Published in:The Journal of Chemical Physics ; 160, 9 ; 12
-
Publisher:
- New search for: AIP Publishing LLC
-
Publication date:2024-03-07
-
Size:12 pages
-
ISSN:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Keywords:
-
Source:
Table of contents – Volume 160, Issue 9
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
-
Modification of the van der Waals and Platteeuw model for gas hydrates considering multiple cage occupancyFiedler, Felix / Vinš, Václav / Jäger, Andreas / Span, Roland et al. | 2024
-
On the nature of two-photon transitions for a collection of molecules in a Fabry–Perot cavityZhou, Zeyu / Chen, Hsing-Ta / Sukharev, Maxim / Subotnik, Joseph E. / Nitzan, Abraham et al. | 2024
-
Identification of local structures in water from supercooled to ambient conditionsFoffi, Riccardo / Sciortino, Francesco et al. | 2024
-
Electric fields near undulating dielectric membranesPogharian, Nicholas / dos Santos, Alexandre P. / Ehlen, Ali / Olvera de la Cruz, Monica et al. | 2024
-
A reactive molecular dynamics model for uranium/hydrogen containing systemsSoshnikov, Artem / Lindsey, Rebecca / Kulkarni, Ambarish / Goldman, Nir et al. | 2024
-
Heterogeneous ice nucleation of salt solution in porous mediaLin, Xin / Zhang, Chao / Hu, Shaojie / Chen, Renpeng et al. | 2024
-
Matrix-formation dynamics dictate methyl nitrite conformer abundanceHockey, Emily K. / McLane, Nathan / Vlahos, Korina / McCaslin, Laura M. / Dodson, Leah G. et al. | 2024
-
Low barriers to internal rotation in the microwave spectrum of 2,5-dimethylfluorobenzeneSun, Haoyue / Khemissi, Safa / Kleiner, Isabelle / Nguyen, Ha Vinh Lam et al. | 2024
-
Probing time-resolved plasma-driven solution electrochemistry in a falling liquid film plasma reactor: Identification of as a plasma-derived reducing agentSrivastava, Tanubhav / Chaudhuri, Subhajyoti / Rich, Christopher C. / Schatz, George C. / Frontiera, Renee R. / Bruggeman, Peter et al. | 2024
-
The conductivity of Nb2O5 enhanced by the triple effect of fluorine doping, oxygen vacancy, and carbon modification for improving the lithium storage performanceLin, Yuda / Chen, Yiheng / Qiu, Liting / Zheng, Shenghui et al. | 2024
-
Emerging experimental methods to study the thermodynamics of biomolecular condensate formationRay, Soumik / Buell, Alexander K. et al. | 2024
-
GUGA-based MRCI approach with core-valence separation approximation (CVS) for the calculation of the core-excited states of moleculesSong, Qi / Liu, Baoyuan / Wu, Junfeng / Zou, Wenli / Wang, Yubin / Suo, Bingbing / Lei, Yibo et al. | 2024
-
Fragmentation of water clusters formed in helium nanodroplets by charge transfer and Penning ionizationDe, S. / Abid, A. R. / Asmussen, J. D. / Ben Ltaief, L. / Sishodia, K. / Ulmer, A. / Pedersen, H. B. / Krishnan, S. R. / Mudrich, M. et al. | 2024
-
Viscoelastic relaxation and topological fluctuations in glass-forming liquidsTung, Chi-Huan / Chang, Shou-Yi / Yip, Sidney / Wang, Yangyang / Carrillo, Jan-Michael Y. / Sumpter, Bobby G. / Shinohara, Yuya / Do, Changwoo / Chen, Wei-Ren et al. | 2024
-
Development and validation of a general-purpose ReaxFF reactive force field for earth material modelingZhang, Yingchun / Liu, Xiandong / van Duin, Adri C. T. / Lu, Xiancai / Meijer, Evert Jan et al. | 2024
-
Molecular driving forces for water adsorption in MOF-808: A comparative analysis with UiO-66Frank, Hilliary O. / Paesani, Francesco et al. | 2024
-
Assessing the thermal conductivity of amorphous SiN by approach-to-equilibrium molecular dynamicsLambrecht, Achille / Ori, Guido / Massobrio, Carlo / Boero, Mauro / Martin, Evelyne et al. | 2024
-
Avoiding matrix exponentials for large transition rate matricesPessoa, Pedro / Schweiger, Max / Pressé, Steve et al. | 2024
-
Predissociation dynamics of D2 revealed by variation in fragment anisotropy parameters along the Fano profileWang, Peng / Gong, Shiyan / Li, Yixuan / Mo, Yuxiang et al. | 2024
-
Photosensitization of TiO2 electrodes immobilized with chiral plasmonic Au nanocolloids by circularly polarized light irradiationKameyama, Tatsuya / Isogawa, Shuji / Akiyoshi, Kazutaka / Kashida, Hiromu / Asanuma, Hiroyuki / Torimoto, Tsukasa et al. | 2024
-
Vibrational signatures of dynamic excess proton storage between primary amine and carboxylic acid groupsGámez, F. / Avilés-Moreno, J. R. / Martens, J. / Berden, G. / Oomens, J. / Martínez-Haya, B. et al. | 2024
-
Assessing the reinforced molecular/mechanical behaviors of GOs@Mo-MOFs films deposited via electrophoresis onto microdevices: Experimental and theoretical perspectivesCao, Zhiyong / Gong, Chuang / Xue, Qiannan / Wang, Hairen / Qu, June / Jin, Junsong / Sun, Lushi / Wang, Xinyun et al. | 2024
-
Time dependent vibrational electronic coupled cluster (VECC) theory for non-adiabatic nuclear dynamicsBao, Songhao / Raymond, Neil / Nooijen, Marcel et al. | 2024
-
A molecular dynamics study on the boundary between homogeneous and heterogeneous nucleationMen, Hua et al. | 2024
-
Computational screening of silver-based single-atom alloys catalysts for CO2 reductionNeto, Marionir M. C. B. / Verga, Lucas G. / Da Silva, Juarez L. F. / Galvão, Breno R. L. et al. | 2024
-
Hyperfine and Zeeman interactions in ultracold collisions of molecular hydrogen with atomic lithiumJóźwiak, Hubert / Tscherbul, Timur V. / Wcisło, Piotr et al. | 2024
-
CMaize: Simplifying inter-package modularity from the build upCrandall, Zachery / Windus, Theresa L. / Richard, Ryan M. et al. | 2024
-
ReaxFF molecular dynamics simulations of methane clathrate combustionBai, Dongsheng / Zhang, Jie et al. | 2024
-
Effectiveness of inhibitors to prevent asphaltene aggregation: Insights from atomistic and molecular simulationsVatti, Anoop Kishore / Divi, Srikanth / Dey, Poulumi et al. | 2024
-
Foreword to the Special Issue Chiral Induced Spin SelectivityNaaman, Ron / Subotnik, Joseph E. / Waldeck, David H. et al. | 2024
-
Learning Markovian dynamics with spectral mapsRydzewski, Jakub / Gökdemir, Tuğçe et al. | 2024
-
Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8Alvares, Cecilia M. S. / Semino, Rocio et al. | 2024
-
First-principles study of high-pressure structural phase transition and superconductivity of YBeH8Du, Jianhui / Jiang, Qiwen / Zhang, Zihan / Zhao, Wendi / Chen, Ling / Huo, ZiHao / Song, Hao / Tian, Fubo / Duan, Defang / Cui, Tian et al. | 2024
-
Connecting microscopic and mesoscopic mechanics in model structural glassesRichard, David et al. | 2024
-
Non-Hermitian molecular dynamics simulations of exciton–polaritons in lossy cavitiesSokolovskii, Ilia / Groenhof, Gerrit et al. | 2024
-
Machine-learning accelerated structure search for ligand-protected clustersFang, Lincan / Laakso, Jarno / Rinke, Patrick / Chen, Xi et al. | 2024
-
Dynamics of a strongly coupled quantum heat engine—Computing bath observables from the hierarchy of pure statesBoettcher, Valentin / Hartmann, Richard / Beyer, Konstantin / Strunz, Walter T. et al. | 2024
-
Water molecule elimination from the protonated methanol dimer ion—An example of a size-selective intracluster reactionSalbaing, Thibaud / Comte, Denis / Lavy, Léo / Lissillour, Hector / Ospina, Laura Parrado / Bertier, Paul / Feketeová, Linda / Calvo, Florent / Farizon, Bernadette / Farizon, Michel et al. | 2024
-
The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic fieldKitsaras, Marios-Petros / Grazioli, Laura / Stopkowicz, Stella et al. | 2024
-
Biaxial nematic order in fundamental measure theoryEl Moumane, Anouar / te Vrugt, Michael / Löwen, Hartmut / Wittmann, René et al. | 2024
-
Tracer dynamics in polymer networks: Generalized Langevin descriptionMilster, Sebastian / Koch, Fabian / Widder, Christoph / Schilling, Tanja / Dzubiella, Joachim et al. | 2024
-
Vapor–liquid equilibrium and thermodynamic properties of saturated argon and krypton from Monte Carlo simulations using ab initio potentialsStröker, Philipp / Meier, Karsten et al. | 2024
-
Revealing the reason for enhanced CZTSSe device performance after Ag heavily doped into absorber surfaceWang, Siyu / Shen, Zhan / Liu, Yue / Zhang, Yi et al. | 2024
-
Long-range, water-mediated interaction between a moderately active antifreeze protein molecule and the surface of iceGrabowska, Joanna / Kuffel, Anna / Zielkiewicz, Jan et al. | 2024
-
Coherent x-ray spontaneous emission spectroscopy of conical intersectionsJadoun, Deependra / Kowalewski, Markus et al. | 2024
-
Quantifying the thickness of WTe2 using atomic-resolution STEM simulations and supervised machine learningDihingia, Nikalabh / Vázquez-Lizardi, Gabriel A. / Wu, Ryan J. / Reifsnyder Hickey, Danielle et al. | 2024
-
Experimental upper bounds for resonance-enhanced entangled two-photon absorption cross section of indocyanine greenHe, Manni / Hickam, Bryce P. / Harper, Nathan / Cushing, Scott K. et al. | 2024
-
First detection and absolute transition frequencies in the (3–0) band of D2Kassi, S. / Fleurbaey, H. / Campargue, A. et al. | 2024
-
Quantum Drude oscillators coupled with Coulomb potential as an efficient model for bonded and non-covalent interactions in atomic dimersDitte, Matej / Barborini, Matteo / Tkatchenko, Alexandre et al. | 2024
-
Tailoring photocatalytic water splitting activity of boron–thiophene polymer through pore size engineeringBhauriyal, Preeti / Heine, Thomas et al. | 2024
-
A slow feature analysis approach for the optimization of collective variablesGong, Shuai / Zheng, Zheng et al. | 2024
-
Electron impact partial ionization cross sections: R-carvone, 2-butanol, imidazole, and 2-nitroimidazoleShanmugasundaram, Suriyaprasanth / Agrawal, Rounak / Gupta, Dhanoj et al. | 2024
-
Phase transitions of choline dihydrogen phosphate: A vibrational spectroscopy and periodic DFT studyPaschoal, Vitor H. / Ribeiro, Mauro C. C. et al. | 2024
-
GenIce-core: Efficient algorithm for generation of hydrogen-disordered ice structuresMatsumoto, Masakazu / Yagasaki, Takuma / Tanaka, Hideki et al. | 2024
-
Structure and self-diffusivity of mixed-cation electrolytes between neutral and charged graphene sheetsRezlerová, Eliška / Moučka, Filip / Předota, Milan / Lísal, Martin et al. | 2024
-
S.O.S: Shape, orientation, and size tune solvation in electrocatalysisServa, Alessandra / Pezzotti, Simone et al. | 2024
-
Fluorinated organic ammonium salt passivation for high-efficiency and stable inverted CsPbI2Br perovskite solar cellsLiu, Xin / She, Xingchen / Wang, Lang / Li, Wei / Zhang, Wen / Wang, Shu / Wangyang, Peihua / Wang, Zhijun / Li, Jie / Cui, Xumei et al. | 2024
-
Fundamental detectability of Raman scattering: A unified diagrammatic approachMin, Wei / Gao, Xin et al. | 2024
-
Cavity-modified molecular dipole switching dynamicsWeidman, Jared D. / Dadgar, Mohammadhossein (Shahriyar) / Stewart, Zachary J. / Peyton, Benjamin G. / Ulusoy, Inga S. / Wilson, Angela K. et al. | 2024
-
Research on molecular dynamics and electrical properties of high heat-resistant epoxy resinsZhang, Changhai / Liu, Zeyang / Wang, Xubin / Zhang, Qiyue / Xing, Wenjie / Zhang, Tiandong / Chi, Qingguo et al. | 2024
-
GPAW: An open Python package for electronic structure calculationsMortensen, Jens Jørgen / Larsen, Ask Hjorth / Kuisma, Mikael / Ivanov, Aleksei V. / Taghizadeh, Alireza / Peterson, Andrew / Haldar, Anubhab / Dohn, Asmus Ougaard / Schäfer, Christian / Jónsson, Elvar Örn et al. | 2024