Works matching DE "SOLVATION"

Results: 1797

Solvation models in the reaction between phenacyl bromide and 2-mercaptobenzimidazole.

Published in:

Journal of Sulfur Chemistry, 2010, v. 31, n. 2, p. 103, doi. 10.1080/17415991003664755

By:

Kavitha, Brahmanapally;
Manikyamba, Prerepa

Publication type:

Article

Thermo‐Acoustical Studies On L‐Leucine in Aqueous MgSO4 and MgCl2 Solution at T = 283.15K and 288.15K.

Published in:

Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400150

By:

Pathan, Neha S.;
Manik, Urvashi P.;
Mishra, Paritosh L.;
Pandey, Krishna Kumar;
Nagpal, Garima

Publication type:

Article

Solvent Polarity and Environment Sensitive Behavior of Coumarin Derivative.

Published in:

Macromolecular Symposia, 2020, v. 392, n. 1, p. 1, doi. 10.1002/masy.201900200

By:

Koppal, Varsha V.;
Hebsur, Rekha K.;
Melavanki, Raveendra. M.;
Kusanure, Raviraj;
Patil, N. R.

Publication type:

Article

Solvent Effect on the Relative Quantum Yield and Preferential Solvation of Biologically Active Coumarin Derivative.

Published in:

Macromolecular Symposia, 2019, v. 387, n. 1, p. N.PAG, doi. 10.1002/masy.201800210

By:

Koppal, Varsha V.;
Patil, P. G.;
Melavanki, Raveendra;
Kusanur, Raviraj;
Patil, N. R.

Publication type:

Article

Synergistic Sorption of Mixed Solvents in Wood Cell Walls: Experimental and Theoretical Approach.

Published in:

Macromolecular Symposia, 2019, v. 386, n. 1, p. N.PAG, doi. 10.1002/masy.201900022

By:

Aguilera‐Segura, Sonia Milena;
Bossu, Julie;
Corn, Stéphane;
Trens, Philippe;
Mineva, Tzonka;
Le Moigne, Nicolas;
Di Renzo, Francesco

Publication type:

Article

Preparation of Multifunctional Anionic Initiators Through Reactions Between n‐Butyl Lithium and Divinylbenzene.

Published in:

Macromolecular Symposia, 2019, v. 383, n. 1, p. N.PAG, doi. 10.1002/masy.201800069

By:

Cazumbá, Anderson;
Tauchert, Elias;
Nicolini, Luis F.;
Moutinho, Marcus;
Pinto, José Carlos

Publication type:

Article

Partition Coefficient of AIBN and Associated Radicals Between Aqueous and Organic Phase: Benchmark of Predictions with the COSMO-RS Model and Perspective for the Use in Kinetic Modelling of Multiphase Systems.

Published in:

Macromolecular Symposia, 2016, v. 360, n. 1, p. 32, doi. 10.1002/masy.201500118

By:

Orlov, Yury;
Heiler, Heike;
Settels, Volker;
Deglmann, Peter

Publication type:

Article

The Crystal Structure of Guanidinium Sulphate Hemiperoxosolvate.

Published in:

Propellants, Explosives, Pyrotechnics, 2018, v. 43, n. 9, p. 859, doi. 10.1002/prep.201800177

By:

Churakov, Andrei V.;
Medvedev, Alexander G.;
Navasardyan, Mger A.;
Grishanov, Dmitry A.;
Prikhodchenko, Petr V.

Publication type:

Article

Ionic Liquids and Energetic Materials.

Published in:

Propellants, Explosives, Pyrotechnics, 2013, v. 38, n. 3, p. 319, doi. 10.1002/prep.201380331

By:

Maiti, Amitesh

Publication type:

Article

The Vibrant Interplay of Light and Self‐Reporting Macromolecular Architectures.

Published in:

Macromolecular Chemistry & Physics, 2021, v. 222, n. 11, p. 1, doi. 10.1002/macp.202100057

By:

Geiselhart, Christina M.;
Mutlu, Hatice

Publication type:

Article

Interplay of Solvation and Size Effects Induced by the Counterions in Ionic Block Copolymers on the Basis of Hofmeister Series.

Published in:

Macromolecular Chemistry & Physics, 2019, v. 220, n. 4, p. N.PAG, doi. 10.1002/macp.201800508

By:

Luo, Haipeng;
Tang, Qiuju;
Zhong, Jiaxing;
Lei, Zhentao;
Zhou, Junyi;
Tong, Zaizai

Publication type:

Article

Conformational Profile of Galactose‐α‐1,3‐Galactose (α‐Gal) and Structural Basis of Its Immunological Response.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 22, p. 1, doi. 10.1002/chem.202500050

By:

Santra, Golokesh;
Pantazis, Dimitrios A.

Publication type:

Article

Front Cover: Conformation Regulation of Trisresorcinarene Directed by Cavity Solvation (Chem. Eur. J. 63/2024).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 63, p. 1, doi. 10.1002/chem.202486301

By:

Shimoyama, Daisuke;
Sekiya, Ryo;
Inoue, Shoichiro;
Hisano, Naoyuki;
Tate, Shin‐ichi;
Haino, Takeharu

Publication type:

Article

Conformation Regulation of Trisresorcinarene Directed by Cavity Solvation.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 63, p. 1, doi. 10.1002/chem.202402922

By:

Shimoyama, Daisuke;
Sekiya, Ryo;
Inoue, Shoichiro;
Hisano, Naoyuki;
Tate, Shin‐ichi;
Haino, Takeharu

Publication type:

Article

Room‐Temperature Liquid Crystalline Tetraphenylethylene‐Surfactant Complex with Chiral Supramolecular Structure and Tunable Circularly Polarized Luminescence.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202402667

By:

Huang, Han‐Jun;
Tian, Kai‐Li;
Wong, Shi‐Qing;
Lian, Ning‐Xiao;
Wang, Jie;
Sun, Hai‐Jun;
Bermeshev, Maxim V.;
Zhong, Lu‐Wei;
Chen, Zhijian;
Ren, Xiang‐Kui

Publication type:

Article

Cover Feature: Self‐Assembled Bis‐Acridinium Tweezer Equilibria Controlled by Multi‐Responsive Properties (Chem. Eur. J. 44/2024).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 44, p. 1, doi. 10.1002/chem.202484402

By:

Hu, Johnny;
Launay, Jean‐Pierre;
Chaumont, Alain;
Heitz, Valérie;
Jacquot de Rouville, Henri‐Pierre

Publication type:

Article

Intramolecular Phenyl Transfer from a Boronate to Lithium in the Gas Phase Reveals Crucial Role of Solvation in Transmetalations.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 27, p. 1, doi. 10.1002/chem.202303653

By:

Kraft, Finn;
Koszinowski, Konrad

Publication type:

Article

Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 1, p. 1, doi. 10.1002/chem.202303167

By:

Pezzola, Silvia;
Venanzi, Mariano;
Galloni, Pierluca;
Conte, Valeria;
Sabuzi, Federica

Publication type:

Article

Biasing the Formation of Solution‐Unstable Intermediates in Coordination Self‐Assembly by Mechanochemistry.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 67, p. 1, doi. 10.1002/chem.202302563

By:

Liu, Yan;
Liu, Fang‐Zi;
Li, Shi;
Liu, Hua;
Yan, KaKing

Publication type:

Article

Activation of the GaI Cation for Bond Activation: from Oxidative Additions into C−Cl and H−P Bonds to Reversible Insertion into P4.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 58, p. 1, doi. 10.1002/chem.202302212

By:

Dabringhaus, Philipp;
Heizmann, Tim;
Krossing, Ingo

Publication type:

Article

Hydration Rearrangement in the 4‐Aminobenzonitrile−(H2O)2 Cluster Induced by Photoionization: The Effect of Solvent‐Solvent Interactions.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 44, p. 1, doi. 10.1002/chem.202301128

By:

Matsuno, Risako;
Dopfer, Otto;
Fujii, Masaaki;
Miyazaki, Mitsuhiko

Publication type:

Article

Amino‐Ene Click Reaction of Electron‐Deficient π‐Conjugated Molecules with Negative Activation Enthalpies.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 39, p. 1, doi. 10.1002/chem.202301019

By:

Sanematsu, Haruki;
Nagata, Yuuya;
Takeuchi, Masayuki;
Takai, Atsuro

Publication type:

Article

Closing the Shell: Gas‐Phase Solvation of Halides by 1,3‐Butadiene.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 37, p. 1, doi. 10.1002/chem.202203570

By:

Watson, Peter D.;
Haakansson, Christian T.;
Robinson, Hayden T.;
Corkish, Timothy R.;
Brookes, James R.;
McKinley, Allan J.;
Wild, Duncan A.

Publication type:

Article

The Impact of the Solvent Dielectric Constant on A←NH3 Dative Bond Depends on the Nature of the Lewis Electron‐Pair Systems.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 35, p. 1, doi. 10.1002/chem.202300635

By:

Manna, Debashree;
Lo, Rabindranath;
Nachtigallová, Dana;
Trávníček, Zdeněk;
Hobza, Pavel

Publication type:

Article

Single‐Particle Measurements: A Powerful Method for Investigating Electrochemical Reactions.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 7, p. 1, doi. 10.1002/chem.202203124

By:

Li, Xu;
Li, Na;
Yang, Le;
Chen, Hao‐Sen;
Song, Wei‐Li

Publication type:

Article

Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine‐Cytosine in Chloroform.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 57, p. 1, doi. 10.1002/chem.202201731

By:

Green, James A.;
Gómez, Sandra;
Worth, Graham;
Santoro, Fabrizio;
Improta, Roberto

Publication type:

Article

Opening of the Diamondoid Cage upon Ionization Probed by Infrared Spectra of the Amantadine Cation Solvated by Ar, N2, and H2O.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 44, p. 1, doi. 10.1002/chem.202200577

By:

George, Martin Andreas Robert;
Dopfer, Otto

Publication type:

Article

Large Solvation Effect in the Optical Rotatory Dispersion of Norbornenone.

Published in:

Angewandte Chemie, 2014, v. 126, n. 5, p. 1410, doi. 10.1002/ange.201306339

By:

Lahiri, Priyanka;
Wiberg, Kenneth B.;
Vaccaro, Patrick H.;
Caricato, Marco;
Crawford, T. Daniel

Publication type:

Article

Thermodynamics of Molecules Strongly Coupled to the Vacuum Field.

Published in:

Angewandte Chemie, 2013, v. 125, n. 40, p. 10727, doi. 10.1002/ange.201301861

By:

Canaguier ‐ Durand, Antoine;
Devaux, Eloïse;
George, Jino;
Pang, Yantao;
Hutchison, James A.;
Schwartz, Tal;
Genet, Cyriaque;
Wilhelms, Nadine;
Lehn, Jean ‐ Marie;
Ebbesen, Thomas W.

Publication type:

Article

Nanosolvation-Induced Stabilization of a Protonated Peptide Dimer Isolated in the Gas Phase.

Published in:

Angewandte Chemie, 2013, v. 125, n. 28, p. 7427, doi. 10.1002/ange.201301667

By:

Milosavljević, Aleksandar R.;
Cerovski, Viktor Z.;
Canon, Francis;
Nahon, Laurent;
Giuliani, Alexandre

Publication type:

Article

Development of solvate ionic liquid immobilized MCM-41 ionogel electrolytes for lithium battery.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 23, p. 18621, doi. 10.1007/s10854-022-08713-9

By:

Lu, Shuangyan;
Cai, Jiawei;
Zheng, Wenshi;
Lai, Zhangxin;
Xie, Bowen;
Ding, Zhihui;
He, Heming

Publication type:

Article

Enhanced crystal formation of methylammonium lead iodide via self-assembled monolayers and their solvation for perovskite solar cells.

Published in:

Journal of Materials Science: Materials in Electronics, 2019, v. 30, n. 1, p. 939, doi. 10.1007/s10854-018-0365-6

By:

Chaisan, Kittiwut;
Wongratanaphisan, Duangmanee;
Choopun, Supab;
Sagawa, Takashi;
Ruankham, Pipat

Publication type:

Article

Partition of Elements Between Solid and Liquid Phases in Aquatic Environments.

Published in:

Aquatic Geochemistry, 2011, v. 17, n. 4/5, p. 697, doi. 10.1007/s10498-011-9121-8

By:

Yuan-Hui Li

Publication type:

Article

Sucrose Dissolution Studies Leading to a Generic Shrinking Object Model for Batch Dissolution of Regular-Shaped Particles.

Published in:

Aquatic Geochemistry, 2009, v. 15, n. 3, p. 421, doi. 10.1007/s10498-008-9059-7

By:

Victor Truesdale

Publication type:

Article

Thermodynamic stability of polyacrylamide and poly( N,N-dimethyl acrylamide).

Published in:

Polymers for Advanced Technologies, 2007, v. 18, n. 12, p. 978, doi. 10.1002/pat.949

By:

Reber, Arthur C.;
Khanna, Shiv N.;
Ottenbrite, Raphael

Publication type:

Article

Theoretical investigation of the interactions of trimer structures formed by HNO3 and HBr together with H2O molecules.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 12, p. 1, doi. 10.1007/s00214-024-03153-6

By:

Maşlakcı, Zafer

Publication type:

Article

Something for nothing: improved solvation free energy prediction with Δ-learning.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 10, p. 1, doi. 10.1007/s00214-023-03047-z

By:

Meng, Fanwang;
Zhang, Hanwen;
Collins Ramirez, Juan Samuel;
Ayers, Paul W.

Publication type:

Article

Development and assessment of a ChemInformatics model for accurate pKa prediction in aqueous medium.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 9, p. 1, doi. 10.1007/s00214-023-03024-6

By:

Sanchez, Alec J.;
Raghavachari, Krishnan

Publication type:

Article

Theoretical prediction for redox potentials of oxygen-centered organic anions in aprotic solvents.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 7, p. 1, doi. 10.1007/s00214-023-03002-y

By:

Wang, Xinhong;
Li, Fangya;
Zhang, Jianyu

Publication type:

Article

First-principles calculations on the micro-solvation of 3d-transition metal ions: solvation versus splitting water.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 4, p. 1, doi. 10.1007/s00214-023-02974-1

By:

Bhargav Kumar, Y.;
Kumar, Nandan;
Narahari Sastry, G.

Publication type:

Article

Probing solvation electrostatics at the air–water interface.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02969-y

By:

Martins-Costa, Marilia T. C.;
Ruiz-López, Manuel F.

Publication type:

Article

Assessing the performances of different continuum solvation models for the calculation of hydration energies of molecules, polymers and surfaces: a comparison between the SMD, VASPsol and FDPB models.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02799-w

By:

Oğuz, Ismail Can;
Vassetti, Dario;
Labat, Frédéric

Publication type:

Article

Explicit solvation effects on low-index Fe surfaces and small particles as adsorbents of Arsenic species: a DFT study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 6, p. 1, doi. 10.1007/s00214-021-02767-4

By:

Tobón, Leslie L. Alfonso;
Branda, María M.

Publication type:

Article

Electronic transitions in Rb2+ dimers solvated in helium.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 3, p. 1, doi. 10.1007/s00214-021-02728-x

By:

Albertini, Simon;
Martini, Paul;
Schiller, Arne;
Schöbel, Harald;
Ghavidel, Elham;
Ončák, Milan;
Echt, Olof;
Scheier, Paul

Publication type:

Article

Effect of chitosan/albendazole nanocarriers' solvation by molecular dynamics.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02620-0

By:

da Silva Costa, Ana Carolina;
Carvalho, Saulo Cardoso;
de Farias Silva, Natália;
do Nascimento-Júnior, Antônio Edilson Sousa;
Cruz, Jorddy Neves;
de Jesus Chaves Neto, Antônio Maia;
do Socorro Barros Brasil, Davi;
Silva-Júnior, José Otávio Carréra;
Ribeiro-Costa, Roseane Maria

Publication type:

Article

Prediction of the tautomer stability and acidity of phenacylpyridines in aqueous solution.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2558-3

By:

Cedillo, Andrés;
Kvedaravičiūtė, Sonata;
Aidas, Kęstutis

Publication type:

Article

Reactivity and stability of ion pairs, dimers and tetramers versus solvent polarity: SNAr fluorination of 2-bromobenzonitrile with tetramethylammonium fluoride.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 2, p. 1, doi. 10.1007/s00214-019-2530-2

By:

Dalessandro, Ellen V.;
Pliego, Josefredo R.

Publication type:

Article

Theoretical study of the stability and NMR spectroscopic properties of vanadium(V) complexes.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 11, p. 1, doi. 10.1007/s00214-019-2509-z

By:

Noriega, Lisset;
Castro, María Eugenia;
Perez-Aguilar, Jose Manuel;
Caballero, Norma A.;
Scior, Thomas;
Ramírez, Ramsés E.;
González-Vergara, Enrique;
Meléndez, Francisco Javier

Publication type:

Article

Calcium and zinc complexes of pyrroglutamate analogs detected by electrospray ionization mass spectrometry.

Published in:

Amino Acids, 2011, v. 40, n. 2, p. 679, doi. 10.1007/s00726-010-0697-x

By:

Beck, Joséphine;
Maton, Laetitia;
Habib Jiwan, Jean-Louis;
Marchand-Brynaert, Jacqueline

Publication type:

Article

Femtosecond solvation dynamics of water.

Published in:

Nature, 1994, v. 369, n. 6480, p. 471, doi. 10.1038/369471a0

By:

Jimenez, Ralph;
Fleming, Graham R.

Publication type:

Article