Search results for: physical chemistry
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JOURNAL OF PHYSICAL CHEMISTRY A
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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JOURNAL OF PHYSICAL CHEMISTRY B
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Journal of Physical Chemistry C
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Journal of Physical Chemistry Letters
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Physical Chemistry_GTM_20_21_winter
e-Learning CoursesThe aim of the subject is to familarize the student with fundamental physico-chemical laws in chemical thermodynamics, phase equilibria and chemical equilibria together with ability of solving relevant text problems involving calculations, as well as teachnig him/her effective and safe carrying out simple experiments/measurements of physico-chemical quantities and proper presentation and interpretation of their results. LECTURES Chemical...
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Physical Chemistry GT 2022/23 Summer
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Physical Chemistry GT 2022/23 Winter
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Physical Chemistry for Green Technologies summer 2021/22
e-Learning CoursesPhysical Chemistry subject for Green Technologies, Semester IV
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DOKLADY PHYSICAL CHEMISTRY
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Advances in Physical Chemistry
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Physical Chemistry Research
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[NCh, ICh] Physical Chemistry of Organic Compounds in Natural Waters
e-Learning Courses{mlang pl} Dyscyplina: Nauki chemiczne Zajęcia obieralne dla doktorantów Prowadzący: prof. dr hab. Tadeusz Górecki Liczba godzin: 15 {mlang} {mlang en} Discipline: Chemical science Elective course for PhD students Academic teacher: prof. dr hab. inż. Tadeusz Górecki Total hours of training: 15 teaching hours {mlang}
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Russian Journal of Physical Chemistry A
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Annual Review of Physical Chemistry
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INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
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Protection of Metals and Physical Chemistry of Surfaces
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Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery
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Russian Journal of Physical Chemistry B
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Advances in Physical Organic Chemistry
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JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
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INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
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ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
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Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
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Charge Loss in Gas-Phase Multiply Negatively Charged Oligonucleotides
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Theoretical Study of Polymerization Mechanism of p-Xylylene Based Polymers
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Hydroxide ion hydration in aqueous solutions
PublicationHydratacja anionu hydroksylowego w wodnych roztworach wybranych wodorotlenków metali alkalicznych została zbadana przy pomocy spektroskopii oscylacyjnej FTIR HDO izotopowo rozcieńczonej w H2O. Po raz pierwszy zastosowano do badań nad takimi układami ilościową wersję metody widm różnicowych. Pozwoliła ona na wyodrębnienie widma HDO zaburzonej przez substancję rozpuszczoną. Dane spektralne skonfrontowano z optymalnymi strukturami...
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Substituent Effect in the First Excited Singlet State of Monosubstituted Benzenes
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Ionic hydration behavior derived from infrared spectra in HDO
PublicationNa podstawie widm HDO w zakresie podczerwieni scharakteryzowano hydratacjejonów o różnym charakterze. Zastosowana analiza danych widmowych opierała się na metodzie widm różnicowych. Wyniki prowadzą do wniosku, że kationy i aniony wywierają jakościowo bardzo różny wpływ na strukturę wody. Energia wiązań wodorowych cząsteczek wody oddziaływającej z anionem zmienia się proporcjonalnie z siłą polaryzującą anionów. W przeciwieństwie...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublicationThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study
PublicationElastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Ligand Design by Ionomers. ESR of MoV in Perfluorinated Ionomer Supports
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Catalysis on polymer supports: ESR of molybdenum (V) dispersed in poly(acrylic acid) matrices
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Two-Dimensional Spatial−Spectral ESR Imaging of Diffusion Based on Molybdenum(V)
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Excess Electron Attachment to Disulfide-Bridged l,l-Cystine. An ab Initio Study
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Negatively Charged Xanthine. I. Anions Formed by Canonical Isomers
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Temperature Dependence of the Dissociative Electron Attachment to 2-Thiothymine
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First Evidence of Rhombic (NaCl)2-. Ab Initio Reexamination of the Sodium Chloride Dimer Anion
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Coulomb-Assisted Dissociative Electron Attachment: Application to a Model Peptide
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Why Are SiX5– and GeX5– (X = F, Cl) Stable but Not CF5– and CCl5–?
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Inverse Potassium Hydride: A Theoretical Study
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Unusual and Conventional Dative Bond Formation by s2 Lone Pair Donation from Alkaline Earth Metal Atoms to BH3, AlH3, and GaH3
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Possible Formation of H3O+ Cations Due to Aluminum Fluoride Interactions with Water
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The Only Stable State of O2- Is the X 2Πg Ground State and It (Still!) Has an Adiabatic Electron Detachment Energy of 0.45 eV
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Negative Ion Formation in Sodium Chloride TrimerAn ab Initio Study
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Bound-Excited Electronic States of the Anion of 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane
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Simulating Electron Transfer Attachment to a Positively Charged Model Peptide
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Caralumane Superacids of Lewis and Brønsted Character
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Formation of Enormously Strongly Bound Anionic Clusters Predicted in Binary Superacids
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