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D

Daniel Sethio

uppsala university

17H指数
55论文数
738被引数
收录论文 21
发表时间
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Machine-Learning Ice Spectra: From 1 to 256 Features
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-04
err0
errOAAI
errShokirbek Shermukhamedov; Jolla Kullgren; Daniel Sethio; Kersti Hermansson
err分享
err收藏
7Li NMR Chemical Shifts in Battery-Relevant Electrolytes: Ligand-Induced Shifts Cancel in Both Experiment and Calculation7Li核磁共振化学位移在电池相关电解质中的应用：配体诱导位移在实验和计算中均被抵消
errChemSusChem
IF6.6
err2025-09-19
err0
errOAAI
errDaniel Sethio; Philippe Bopp; Kersti Hermansson
err分享
err收藏
Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-25
err0
errOAAI
errRoeckert, Andreas; Kullgren, Jolla; Sethio, Daniel; Agosta, Lorenzo; Hermansson, Kersti
err分享
err收藏
Simulation Reveals the Chameleonic Behavior of Macrocycles
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-12-23
err12
errOAAI
errSethio, Daniel; Poongavanam, Vasanthanathan; Xiong, Ruisheng; Tyagi, Mohit; Vo, Duc Duy; Lindh, Roland; Kihlberg, Jan
err分享
err收藏
Dual Functional High Donor Electrolytes for Lithium-Sulfur Batteries under Lithium Nitrate Free and Lean Electrolyte Conditions在无硝酸锂和贫电解质条件下用于锂硫电池的双功能高供体电解质
errACS ENERGY LETTERS
IF18.2
err2022-07-07
err32
PREAI
errElabd, Ahmed; Kim, Jiheon; Sethio, Daniel; Kang, Sangho; Kang, Taemin; Choi, Jang Wook; Coskun, Ali
err分享
err收藏
Halogen Bond Activation in Gold Catalysis金催化中的卤键活化
errACS CATALYSIS
IF13.1
err2022-06-01
err20
errOAAI
errJonsson, Helgi Freyr; Sethio, Daniel; Wolf, Julian; Huber, Stefan M.; Fiksdahl, Anne; Erdelyi, Mate
err分享
err收藏
Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?
errCHEMICAL COMMUNICATIONS
IF4.2
err2022-01-01
err11
errOAAI
errWilcox, Scott; Sethio, Daniel; Ward, Jas S.; Frontera, Antonio; Lindh, Roland; Rissanen, Kari; Erdelyi, Mate
err分享
err收藏
Probing Halogen Bonds by Scalar Couplings
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-07-08
err8
errOAAI
errJimmink, Bono; Sethio, Daniel; Turunen, Lotta; von der Heiden, Daniel; Erdelyi, Mate
err分享
err收藏
Assessing the Intrinsic Strengths of Ion-Solvent and Solvent-Solvent Interactions for Hydrated Mg2+ Clusters
errINORGANICS
IF3
err2021-04-22
err7
errOAAI
errDelgado, Alexis Antoinette Ann; Sethio, Daniel; Kraka, Elfi
err分享
err收藏
Mechanosynthesis of a Coamorphous Formulation of Creatine with Citric Acid and Humidity-Mediated Transformation into a Cocrystal
errCRYSTAL GROWTH & DESIGN
IF3.4
err2021-01-04
err19
errOAAI
errPekar, Kyle B.; Lefton, Jonathan B.; McConville, Christina A.; Burleson, Jewel; Sethio, Daniel; Kraka, Elfi; Runcevski, Tomce
err分享
err收藏
Modulating photoswitch performance with halogen, coordinative and hydrogen bonding: a comparison of relative bond strengths
errCHEMICAL COMMUNICATIONS
IF4.2
err2021-01-01
err8
errOAAI
errLindblad, Sofia; Sethio, Daniel; Berryman, Orion B.; Erdelyi, Mate
err分享
err收藏
Local vibrational mode analysis of ion-solvent and solvent-solvent interactions for hydrated Ca2+ clusters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-10
err15
errOAAI
errDelgado, Alexis A. A.; Sethio, Daniel; Munar, Ipek; Aviyente, Viktorya; Kraka, Elfi
err分享
err收藏
Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-02
err17
errOAAI
errSethio, Daniel; Raggi, Gerardo; Lindh, Roland; Erdelyi, Mate
err分享
err收藏
Computational analysis of vibrational frequencies and rovibrational spectroscopic constants of hydrogen sulfide dimer using MP2 and CCSD(T)
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2020-10-01
err17
errOAAI
errMartins, Joao B. L.; Quintino, Rabeshe P.; Politi, Jose R. dos S.; Sethio, Daniel; Gargano, Ricardo; Kraka, Elfi
err分享
err收藏
Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B-H Species
errACS OMEGA
IF4.3
err2019-05-22
err10
errOAAI
errMaillard, Robert; Sethio, Daniel; Hagemann, Hans; Daku, Lateprimevi M. Lawson
err分享
err收藏
In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-02-18
err34
PREAI
errTao, Yunwen; Zou, Wenli; Sethio, Daniel; Verma, Niraj; Qiu, Yue; Tian, Chuan; Cremer, Dieter; Kraka, Elfi
err分享
err收藏
Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy
errMOLECULES
IF4.6
err2018-10-25
err84
errOAAI
errSethio, Daniel; Oliveira, Vytor; Kraka, Elfi
err分享
err收藏
Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10- and CB11H12-
errINTERNATIONAL JOURNAL OF HYDROGEN ENERGY
IF8.3
err2017-08-01
err15
errOAAI
errSethio, Daniel; Daku, Latevi Max Lawson; Hagemann, Hans
err分享
err收藏
A theoretical study of the spectroscopic properties of B2H6 and of a series of BxHyz- species (x=1-12, y=3-14, z=0-2): From BH3 to B12H122-
errINTERNATIONAL JOURNAL OF HYDROGEN ENERGY
IF8.3
err2016-05-01
err31
errOAAI
errSethio, Daniel; Daku, Latevi Max Lawson; Hagemann, Hans
err分享
err收藏
Theoretical study of B12HnF(12-n)2- species
errINTERNATIONAL JOURNAL OF HYDROGEN ENERGY
IF8.3
err2015-10-01
err17
PREAI
errSharma, Manish; Sethio, Daniel; D'Anno, Vincenzo; Hagemann, Hans
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
J
Jang Wook Choi
H 指数: 109 · 论文数: 398
A
Antonio Frontera
H 指数: 84 · 论文数: 3.1K
K
Kari Rissanen
H 指数: 81 · 论文数: 2.6K
D
Dieter Cremer
H 指数: 80 · 论文数: 495
A
AkkayaEnginU. (Ali Coşkun)
H 指数: 69 · 论文数: 265
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