한국어
English Indonesia Türkçe Deutsch Español Português Pусский Français Italiano Nederlands Polski العربية ไทย Tiếng Việt 繁體中文 简体中文 日本語 한국어

#densityfunctionaltheory 검색 결과

PRX_Energy's profile picture. @APSphysics's interdisciplinary, #OpenAccess journal for high-impact #energy science and technology research. Free to publish through 2025!
PRX Energy
@PRX_Energy
. 8. 28.

#ICYMI: By combining #DensityFunctionalTheory and machine-learned potentials, researchers identify K5YSi4O12 as a promising candidate for potassium-ion solid electrolyte thanks to its exceptional ionic conductivity and compatibility with metal anodes. go.aps.org/4fyyWDg

PRX_Energy's tweet image. #ICYMI: By combining #DensityFunctionalTheory and machine-learned potentials, researchers identify K5YSi4O12 as a promising candidate for potassium-ion solid electrolyte thanks to its exceptional ionic conductivity and compatibility with metal anodes. go.aps.org/4fyyWDg
1
2
2
0
197
PARADIMResearch's profile picture. #NSFfunded Materials Innovation Platform (@NSF DMR-2039380)—Training materials-by-design practitioners—Democratizing materials discovery—Realizing new materials
PARADIM
 @PARADIMResearch
2023. 7. 25.

Join us for day 2 of the PARADIM'S DFT Summer School, lectures available on PARADIM.org or Register to join on zoom: cornell.zoom.us/webinar/regist… @betul_pamuk #DensityFunctionalTheory #DFT

PARADIMResearch's tweet image. Join us for day 2 of the PARADIM'S DFT Summer School, lectures available on PARADIM.org or Register to join on zoom: cornell.zoom.us/webinar/regist… @betul_pamuk #DensityFunctionalTheory #DFT
1
6
16
2
3천
PhysRevE's profile picture. @APSPhysics journal covering statistical, nonlinear, biological, and soft matter physics.
Physical Review E
 @PhysRevE
2024. 9. 13.

Editors' suggestion: Neural density functionals: Local learning and pair-correlation matching, Florian Sammüller and Matthias Schmidt #DensityFunctionalTheory @unibt go.aps.org/4ei0awf

0
1
2
2
1천
PhysRevX's profile picture. @APSPhysics' #OpenAccess journal for exceptional original research from all areas of pure, applied, and interdisciplinary physics.
Physical Review X
 @PhysRevX
. 12. 2.

By incorporating energy-lowering structural distortions, new research shows how #DensityFunctionalTheory can accurately describe structural, electronic, and magnetic properties of the normal state of a prototypical cuprate superconductor called BSCCO. 🔗 go.aps.org/4eSUIjm

PhysRevX's tweet image. By incorporating energy-lowering structural distortions, new research shows how #DensityFunctionalTheory can accurately describe structural, electronic, and magnetic properties of the normal state of a prototypical cuprate superconductor called BSCCO. 🔗 go.aps.org/4eSUIjm
1
10
42
9
2천
NilRoigVidal's profile picture. PhD student at the @chaplinlab and at the @ALGC_VUB groups. MSc in Advanced Catalysis and Molecular Modelling at @IQCCUdG. (He/Him)
Nil Roig Vidal
 @NilRoigVidal
2022. 8. 28.

Everything ready to start tomorrow with @DFT2022BXL. Let's go! #densityFUNctionaltheory

NilRoigVidal's tweet image. Everything ready to start tomorrow with @DFT2022BXL. Let's go! #densityFUNctionaltheory
1
1
29
0
0
PhysRevE's profile picture. @APSPhysics journal covering statistical, nonlinear, biological, and soft matter physics.
Physical Review E
 @PhysRevE
2024. 6. 12.

Stochastic density functional theory combined with Langevin dynamics for warm dense matter, Rebecca Efrat Hadad, Argha Roy, Eran Rabani, Ronald Redmer, and Roi Baer #DensityFunctionalTheory go.aps.org/4cczr3L

PhysRevE's tweet image. Stochastic density functional theory combined with Langevin dynamics for warm dense matter, Rebecca Efrat Hadad, Argha Roy, Eran Rabani, Ronald Redmer, and Roi Baer #DensityFunctionalTheory go.aps.org/4cczr3L
0
4
23
4
1천
Entropy_MDPI's profile picture. Entropy (ISSN 1099-4300; IF=2.0) is an international and interdisciplinary open access journal of entropy and information studies.
Entropy MDPI
 @Entropy_MDPI
2020. 9. 28.

#mdpientropy Top Cited Paper : "Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles" mdpi.com/1099-4300/20/9… #highentropyalloy #densityfunctionaltheory

Entropy_MDPI's tweet image. #mdpientropy Top Cited Paper : "Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles" mdpi.com/1099-4300/20/9… #highentropyalloy #densityfunctionaltheory
0
1
3
1
0
MDPIOpenAccess's profile picture. A pioneer in scholarly, open access publishing, MDPI has supported academic communities since 1996.
MDPI
 @MDPIOpenAccess
2018. 5. 11.

Optical Absorption and Reflectivity of a Molecular Cluster of Lithium Niobate Adsorbed on a Graphene Layer sci.fo/4uo #DensityFunctionalTheory

MDPIOpenAccess's tweet image. Optical Absorption and Reflectivity of a Molecular Cluster of Lithium Niobate Adsorbed on a Graphene Layer sci.fo/4uo #DensityFunctionalTheory
1
0
1
0
0
Entropy_MDPI's profile picture. Entropy (ISSN 1099-4300; IF=2.0) is an international and interdisciplinary open access journal of entropy and information studies.
Entropy MDPI
 @Entropy_MDPI
2022. 2. 14.

New #SpecialIssue "Computational Physics and Chemistry Contributions to the Investigation of Ionic Liquids", edited by Dr. Annalisa Paolone and Dr. Oriele Palumbo, is open for submission! mdpi.com/journal/entrop… #IonicLiquids #densityfunctionaltheory #moleculardynamics

Entropy_MDPI's tweet image. New #SpecialIssue "Computational Physics and Chemistry Contributions to the Investigation of Ionic Liquids", edited by Dr. Annalisa Paolone and Dr. Oriele Palumbo, is open for submission! mdpi.com/journal/entrop… #IonicLiquids #densityfunctionaltheory #moleculardynamics
0
1
2
0
0
ACES_Journals's profile picture. An organization of 12 major chemical societies in the Asia-Pacific region committed to scientific excellence. News by #ChemAsianJ, #AsianJOC & #ChemNanoMat.
Asian Chemical Editorial Society (ACES)
 @ACES_Journals
2020. 11. 28.

Vibrational spectra & molecular vibrational behaviors of all-carboatomic rings, #cyclo[18]carbon and its analogues. #DensityFunctionalTheory onlinelibrary.wiley.com/doi/10.1002/as…

ACES_Journals's tweet image. Vibrational spectra & molecular vibrational behaviors of all-carboatomic rings, #cyclo[18]carbon and its analogues. #DensityFunctionalTheory onlinelibrary.wiley.com/doi/10.1002/as…
0
0
2
0
0
NITheCS's profile picture. National Institute for Theoretical and Computational Sciences
NITheCS
 @NITheCS
. 8. 19.

NITheCS Quantum Seminar: ‘From Atoms to Surfaces: DFT Insights into Catalytic & Reactive Surfaces & Interfaces' – Dr David Tshwane (NITheCS Associate) - Fri, 22 Aug @ 14h00. buff.ly/d9ePOx5 #MaterialDesign #ComputationalModelling #DensityFunctionalTheory #Mathematics

NITheCS's tweet image. NITheCS Quantum Seminar: ‘From Atoms to Surfaces: DFT Insights into Catalytic & Reactive Surfaces & Interfaces' – Dr David Tshwane (NITheCS Associate) - Fri, 22 Aug @ 14h00. buff.ly/d9ePOx5 #MaterialDesign #ComputationalModelling #DensityFunctionalTheory #Mathematics
0
0
0
0
31
Innov_Materials's profile picture. The Innovation Materials is a new journal on Material science from The Innovation Group, a sister journal of The Innovation @The_InnovationJ.
The Innovation Materials
@Innov_Materials
2022. 4. 8.

J Chem. Theory Comput. Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence @JCIM_JCTC #TransitionState #DFT #DensityFunctionalTheory @ClancyGroup #compchem pubs.acs.org/doi/10.1021/ac…

Innov_Materials's tweet image. J Chem. Theory Comput. Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence @JCIM_JCTC #TransitionState #DFT #DensityFunctionalTheory @ClancyGroup #compchem pubs.acs.org/doi/10.1021/ac…
0
3
6
1
0
CSIR_NPL's profile picture.
CSIR-NPL
 @CSIR_NPL
2022. 4. 1.

T00148_K Dr Jiji T. J. Pulikkotil (@CSIR_NPL ) delivered Colloquium on ‘Density Functional Theory: Fundamentals and Applications’ on 01.04.2022 at CSIR-NPL. @CSIR_IND @VigyanPrasar #NPLColloquium #NMIofIndia #DensityFunctionalTheory

CSIR_NPL's tweet image. T00148_K Dr Jiji T. J. Pulikkotil (@CSIR_NPL ) delivered Colloquium on ‘Density Functional Theory: Fundamentals and Applications’ on 01.04.2022 at CSIR-NPL. @CSIR_IND @VigyanPrasar #NPLColloquium #NMIofIndia #DensityFunctionalTheory
0
0
6
0
0
ChemEurJ's profile picture. A Multidisciplinary Chemistry Journal - The heart of the Chemistry Europe @ChemEurope portfolio (https://t.co/42j8T8Mpwl)
ChemEurJ: Chemistry - A European Journal
 @ChemEurJ
2019. 5. 17.

A method to fingerprint defects sites in thin films of zeolitic imidazolate frameworks by using #Ramanspectroscopy, #densityfunctionaltheory @BWeckhuysen @UtrechtUni doi.wiley.com/10.1002/chem.2…

ChemEurJ's tweet image. A method to fingerprint defects sites in thin films of zeolitic imidazolate frameworks by using #Ramanspectroscopy, #densityfunctionaltheory @BWeckhuysen @UtrechtUni doi.wiley.com/10.1002/chem.2…
0
1
6
0
0
MDPIOpenAccess's profile picture. A pioneer in scholarly, open access publishing, MDPI has supported academic communities since 1996.
MDPI
 @MDPIOpenAccess
2020. 1. 15.

The Generation of the Oxidant Agent of a Mononuclear Nonheme Fe(II) Biomimetic Complex by Oxidative Decarboxylation. A DFT Investigation sci.fo/68u #PotentialEnergySurface #DensityFunctionalTheory @Molecules_MDPI

MDPIOpenAccess's tweet image. The Generation of the Oxidant Agent of a Mononuclear Nonheme Fe(II) Biomimetic Complex by Oxidative Decarboxylation. A DFT Investigation sci.fo/68u #PotentialEnergySurface #DensityFunctionalTheory @Molecules_MDPI
0
0
0
0
0
UCSDPhySci's profile picture. Home to the Departments of @UCSDastro, @UCSDChemBiochem, @UCSDMathDept, @UCSDPhysics and CalTeach.
UC San Diego School of Physical Sciences
 @UCSDPhySci
2023. 11. 28.

.@UCSDPhysics Professor Emeritus Lu Sham received @UCSanDiego's Revelle Medal for his distinguished service and scholarship to the university. This video highlights his groundbreaking work in #DensityFunctionalTheory, which has changed drug development. bit.ly/46zca88

UCSDPhySci's tweet image. .@UCSDPhysics Professor Emeritus Lu Sham received @UCSanDiego's Revelle Medal for his distinguished service and scholarship to the university. This video highlights his groundbreaking work in #DensityFunctionalTheory, which has changed drug development. bit.ly/46zca88
0
0
4
0
455
msri_journal's profile picture. Material Science Research India (MSRI) Journal is a open access, peer reviewed international journal
Material Science Research India
 @msri_journal
. 10. 20.

Theoretical Insights into Hydrogen Bonding, IR Spectra, and Reactivity of Pimelic Acid in Mixed Solvents Using DFT Calculations Read the Article here: bit.ly/4nISOqp #DensityFunctionalTheory #Globalreactivitydescriptors #Hydrogenbonding #HOMOLUMOgap #Pimelicacid

msri_journal's tweet image. Theoretical Insights into Hydrogen Bonding, IR Spectra, and Reactivity of Pimelic Acid in Mixed Solvents Using DFT Calculations Read the Article here: bit.ly/4nISOqp #DensityFunctionalTheory #Globalreactivitydescriptors #Hydrogenbonding #HOMOLUMOgap #Pimelicacid
0
0
0
0
13
PRX_Energy's profile picture. @APSphysics's interdisciplinary, #OpenAccess journal for high-impact #energy science and technology research. Free to publish through 2025!
PRX Energy
@PRX_Energy
. 8. 28.

#ICYMI: By combining #DensityFunctionalTheory and machine-learned potentials, researchers identify K5YSi4O12 as a promising candidate for potassium-ion solid electrolyte thanks to its exceptional ionic conductivity and compatibility with metal anodes. go.aps.org/4fyyWDg

PRX_Energy's tweet image. #ICYMI: By combining #DensityFunctionalTheory and machine-learned potentials, researchers identify K5YSi4O12 as a promising candidate for potassium-ion solid electrolyte thanks to its exceptional ionic conductivity and compatibility with metal anodes. go.aps.org/4fyyWDg
1
2
2
0
197
NITheCS's profile picture. National Institute for Theoretical and Computational Sciences
NITheCS
 @NITheCS
. 8. 19.

NITheCS Quantum Seminar: ‘From Atoms to Surfaces: DFT Insights into Catalytic & Reactive Surfaces & Interfaces' – Dr David Tshwane (NITheCS Associate) - Fri, 22 Aug @ 14h00. buff.ly/d9ePOx5 #MaterialDesign #ComputationalModelling #DensityFunctionalTheory #Mathematics

NITheCS's tweet image. NITheCS Quantum Seminar: ‘From Atoms to Surfaces: DFT Insights into Catalytic & Reactive Surfaces & Interfaces' – Dr David Tshwane (NITheCS Associate) - Fri, 22 Aug @ 14h00. buff.ly/d9ePOx5 #MaterialDesign #ComputationalModelling #DensityFunctionalTheory #Mathematics
0
0
0
0
31
jobRxiv's profile picture. The international job board for scientists, by scientists. Are you hiring? ➡️ https://t.co/bgzNHCclCG
jobRxiv
@jobRxiv
. 8. 17.

Postdoc in Theoretical chemistry at TU Dresden for proton difusion Technische Universität Dresden See the full job description on jobRxiv: jobrxiv.org/job/technische… #2Dmaterials #densityfunctionaltheory #membrane #moleculardynamics #quantumchemistry #ScienceJobs…

jobRxiv's tweet card. Post a job in 3min, or find thousands of job offers like this one at jobRxiv!
Postdoc in Theoretical chemistry at TU Dresden for proton difusion
출처: jobrxiv.org
0
1
2
1
992
PhysRevB's profile picture. @APSPhysics journal specializing in condensed matter & materials physics.
Physical Review B
 @PhysRevB
. 7. 18.

PRB Editors' Suggestion: Efficient periodic #DensityFunctionalTheory calculations of charged molecules & surfaces using Coulomb kernel truncation S. Vijay et al., Phys. Rev. B 112, 045409 ➡️ go.aps.org/4kB4OYX #OpenAccess #EdSugg @APSPhysics #physics #condmat @sudarshanv01

PhysRevB's tweet image. PRB Editors' Suggestion: Efficient periodic #DensityFunctionalTheory calculations of charged molecules & surfaces using Coulomb kernel truncation S. Vijay et al., Phys. Rev. B 112, 045409 ➡️ go.aps.org/4kB4OYX #OpenAccess #EdSugg @APSPhysics #physics #condmat @sudarshanv01
0
1
6
1
676
chemosens_MDPI's profile picture. #Chemosensors (ISSN 2227-9040; IF:4.229) is an international, scientific, #openaccess journal on the science and technology of #chemosensors published by #MDPI.
Chemosensors MDPI
 @chemosens_MDPI
. 6. 6.

#Article Theoretical Study of 3d VIII Atom-Decorated γ-Graphyne for Adsorbing and Detecting Heptafluoroisobutyronitrile by Ziang Zheng, et al. doi.org/10.3390/chemos… @MDPIOpenAccess @WHU_1893 #densityfunctionaltheory #C4F7N #3dVIIIatom #γgraphyne #gassensor

chemosens_MDPI's tweet image. #Article Theoretical Study of 3d VIII Atom-Decorated γ-Graphyne for Adsorbing and Detecting Heptafluoroisobutyronitrile by Ziang Zheng, et al. doi.org/10.3390/chemos… @MDPIOpenAccess @WHU_1893 #densityfunctionaltheory #C4F7N #3dVIIIatom #γgraphyne #gassensor
0
0
2
0
37
ActaCrystC's profile picture. Acta Crystallographica Section C, an IUCr journal, reports exciting science with structural content and important results relating to the chemical sciences
Structural Chemistry
 @ActaCrystC
. 5. 14.

Akerele and Lemmerer: Exploration of the structure and inter­actions of 4-(di­methyl­amino)-3-methyl­phenyl N-methyl­car­bam­ate (Aminocarb) #CrystalStructure #NoncovalentInteractions #DensityFunctionalTheory ... #IUCr journals.iucr.org/paper?S2053229…

0
0
0
0
125
"#densityfunctionaltheory"에 대한 결과가 없습니다
PRX_Energy's profile picture. @APSphysics's interdisciplinary, #OpenAccess journal for high-impact #energy science and technology research. Free to publish through 2025!
PRX Energy
@PRX_Energy
. 8. 28.

#ICYMI: By combining #DensityFunctionalTheory and machine-learned potentials, researchers identify K5YSi4O12 as a promising candidate for potassium-ion solid electrolyte thanks to its exceptional ionic conductivity and compatibility with metal anodes. go.aps.org/4fyyWDg

PRX_Energy's tweet image. #ICYMI: By combining #DensityFunctionalTheory and machine-learned potentials, researchers identify K5YSi4O12 as a promising candidate for potassium-ion solid electrolyte thanks to its exceptional ionic conductivity and compatibility with metal anodes. go.aps.org/4fyyWDg
1
2
2
0
197
PARADIMResearch's profile picture. #NSFfunded Materials Innovation Platform (@NSF DMR-2039380)—Training materials-by-design practitioners—Democratizing materials discovery—Realizing new materials
PARADIM
 @PARADIMResearch
2023. 7. 25.

Join us for day 2 of the PARADIM'S DFT Summer School, lectures available on PARADIM.org or Register to join on zoom: cornell.zoom.us/webinar/regist… @betul_pamuk #DensityFunctionalTheory #DFT

PARADIMResearch's tweet image. Join us for day 2 of the PARADIM'S DFT Summer School, lectures available on PARADIM.org or Register to join on zoom: cornell.zoom.us/webinar/regist… @betul_pamuk #DensityFunctionalTheory #DFT
1
6
16
2
3천
Scirp_Papers's profile picture. Scientific Research Publishing (SCIRP) is an academic publisher of open access journals. It also publishes academic books and conference proceedings.
Scirp Papers
 @Scirp_Papers
2019. 2. 27.

Study of the Reactivity of (100) Felodipine Surface Model Based on DFT Concepts #DensityFunctionalTheory More @ bit.ly/2ThINWp

Scirp_Papers's tweet image. Study of the Reactivity of (100) Felodipine Surface Model Based on DFT Concepts #DensityFunctionalTheory More @ bit.ly/2ThINWp
0
0
0
0
0
PhysRevX's profile picture. @APSPhysics' #OpenAccess journal for exceptional original research from all areas of pure, applied, and interdisciplinary physics.
Physical Review X
 @PhysRevX
. 12. 2.

By incorporating energy-lowering structural distortions, new research shows how #DensityFunctionalTheory can accurately describe structural, electronic, and magnetic properties of the normal state of a prototypical cuprate superconductor called BSCCO. 🔗 go.aps.org/4eSUIjm

PhysRevX's tweet image. By incorporating energy-lowering structural distortions, new research shows how #DensityFunctionalTheory can accurately describe structural, electronic, and magnetic properties of the normal state of a prototypical cuprate superconductor called BSCCO. 🔗 go.aps.org/4eSUIjm
1
10
42
9
2천
CSIR_NPL's profile picture.
CSIR-NPL
 @CSIR_NPL
2022. 4. 1.

T00148_K Dr Jiji T. J. Pulikkotil (@CSIR_NPL ) delivered Colloquium on ‘Density Functional Theory: Fundamentals and Applications’ on 01.04.2022 at CSIR-NPL. @CSIR_IND @VigyanPrasar #NPLColloquium #NMIofIndia #DensityFunctionalTheory

CSIR_NPL's tweet image. T00148_K Dr Jiji T. J. Pulikkotil (@CSIR_NPL ) delivered Colloquium on ‘Density Functional Theory: Fundamentals and Applications’ on 01.04.2022 at CSIR-NPL. @CSIR_IND @VigyanPrasar #NPLColloquium #NMIofIndia #DensityFunctionalTheory
0
0
6
0
0
YokoJBian's profile picture. Faith and Freedom. Barrel Racer NBHA Colonial/NJ-02.
Yoko Bian, PhD
 @YokoJBian
2018. 3. 6.

看了一下午的文献关于密度泛函理论，当看到Jacob's Ladder时候一阵感动。我们不讲原因，因为他们千千万万；只讲结果，因为现实只有一个。只要他们一一对应就好。佩服Hohenberg-Kohn的思路。 #DensityFunctionalTheory#DFT#randomthoughts#history#theoreticalchemistry

YokoJBian's tweet image. 看了一下午的文献关于密度泛函理论，当看到Jacob's Ladder时候一阵感动。我们不讲原因，因为他们千千万万；只讲结果，因为现实只有一个。只要他们一一对应就好。佩服Hohenberg-Kohn的思路。 #DensityFunctionalTheory#DFT#randomthoughts#history#theoreticalchemistry
0
0
0
0
0
PhysRevE's profile picture. @APSPhysics journal covering statistical, nonlinear, biological, and soft matter physics.
Physical Review E
 @PhysRevE
2024. 6. 12.

Stochastic density functional theory combined with Langevin dynamics for warm dense matter, Rebecca Efrat Hadad, Argha Roy, Eran Rabani, Ronald Redmer, and Roi Baer #DensityFunctionalTheory go.aps.org/4cczr3L

PhysRevE's tweet image. Stochastic density functional theory combined with Langevin dynamics for warm dense matter, Rebecca Efrat Hadad, Argha Roy, Eran Rabani, Ronald Redmer, and Roi Baer #DensityFunctionalTheory go.aps.org/4cczr3L
0
4
23
4
1천
ChemEurJ's profile picture. A Multidisciplinary Chemistry Journal - The heart of the Chemistry Europe @ChemEurope portfolio (https://t.co/42j8T8Mpwl)
ChemEurJ: Chemistry - A European Journal
 @ChemEurJ
2019. 5. 17.

A method to fingerprint defects sites in thin films of zeolitic imidazolate frameworks by using #Ramanspectroscopy, #densityfunctionaltheory @BWeckhuysen @UtrechtUni doi.wiley.com/10.1002/chem.2…

ChemEurJ's tweet image. A method to fingerprint defects sites in thin films of zeolitic imidazolate frameworks by using #Ramanspectroscopy, #densityfunctionaltheory @BWeckhuysen @UtrechtUni doi.wiley.com/10.1002/chem.2…
0
1
6
0
0
ChemEurJ's profile picture. A Multidisciplinary Chemistry Journal - The heart of the Chemistry Europe @ChemEurope portfolio (https://t.co/42j8T8Mpwl)
ChemEurJ: Chemistry - A European Journal
 @ChemEurJ
2020. 9. 10.

Alkaline Earth Metals Activate N2 and CO in Cubic Complexes Just Like Transition Metals: A Conceptual #DensityFunctionalTheory and Energy Decomposition Analysis Study @VUBrussel @Uni_MR onlinelibrary.wiley.com/doi/10.1002/ch…

ChemEurJ's tweet image. Alkaline Earth Metals Activate N2 and CO in Cubic Complexes Just Like Transition Metals: A Conceptual #DensityFunctionalTheory and Energy Decomposition Analysis Study @VUBrussel @Uni_MR onlinelibrary.wiley.com/doi/10.1002/ch…
0
3
11
0
0
Innov_Materials's profile picture. The Innovation Materials is a new journal on Material science from The Innovation Group, a sister journal of The Innovation @The_InnovationJ.
The Innovation Materials
@Innov_Materials
2022. 4. 8.

J Chem. Theory Comput. Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence @JCIM_JCTC #TransitionState #DFT #DensityFunctionalTheory @ClancyGroup #compchem pubs.acs.org/doi/10.1021/ac…

Innov_Materials's tweet image. J Chem. Theory Comput. Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence @JCIM_JCTC #TransitionState #DFT #DensityFunctionalTheory @ClancyGroup #compchem pubs.acs.org/doi/10.1021/ac…
0
3
6
1
0
MDPIOpenAccess's profile picture. A pioneer in scholarly, open access publishing, MDPI has supported academic communities since 1996.
MDPI
 @MDPIOpenAccess
2017. 7. 12.

Synthesis and Study of Fe-Doped Bi2S3 Semimagnetic... sci.fo/3ct #DensityFunctionalTheory @Molecules_MDPI

MDPIOpenAccess's tweet image. Synthesis and Study of Fe-Doped Bi2S3 Semimagnetic... sci.fo/3ct #DensityFunctionalTheory @Molecules_MDPI
0
1
1
0
0
ACES_Journals's profile picture. An organization of 12 major chemical societies in the Asia-Pacific region committed to scientific excellence. News by #ChemAsianJ, #AsianJOC & #ChemNanoMat.
Asian Chemical Editorial Society (ACES)
 @ACES_Journals
2020. 11. 28.

Vibrational spectra & molecular vibrational behaviors of all-carboatomic rings, #cyclo[18]carbon and its analogues. #DensityFunctionalTheory onlinelibrary.wiley.com/doi/10.1002/as…

ACES_Journals's tweet image. Vibrational spectra & molecular vibrational behaviors of all-carboatomic rings, #cyclo[18]carbon and its analogues. #DensityFunctionalTheory onlinelibrary.wiley.com/doi/10.1002/as…
0
0
2
0
0
Entropy_MDPI's profile picture. Entropy (ISSN 1099-4300; IF=2.0) is an international and interdisciplinary open access journal of entropy and information studies.
Entropy MDPI
 @Entropy_MDPI
2022. 2. 14.

New #SpecialIssue "Computational Physics and Chemistry Contributions to the Investigation of Ionic Liquids", edited by Dr. Annalisa Paolone and Dr. Oriele Palumbo, is open for submission! mdpi.com/journal/entrop… #IonicLiquids #densityfunctionaltheory #moleculardynamics

Entropy_MDPI's tweet image. New #SpecialIssue "Computational Physics and Chemistry Contributions to the Investigation of Ionic Liquids", edited by Dr. Annalisa Paolone and Dr. Oriele Palumbo, is open for submission! mdpi.com/journal/entrop… #IonicLiquids #densityfunctionaltheory #moleculardynamics
0
1
2
0
0
UCSDPhySci's profile picture. Home to the Departments of @UCSDastro, @UCSDChemBiochem, @UCSDMathDept, @UCSDPhysics and CalTeach.
UC San Diego School of Physical Sciences
 @UCSDPhySci
2023. 11. 28.

.@UCSDPhysics Professor Emeritus Lu Sham received @UCSanDiego's Revelle Medal for his distinguished service and scholarship to the university. This video highlights his groundbreaking work in #DensityFunctionalTheory, which has changed drug development. bit.ly/46zca88

UCSDPhySci's tweet image. .@UCSDPhysics Professor Emeritus Lu Sham received @UCSanDiego's Revelle Medal for his distinguished service and scholarship to the university. This video highlights his groundbreaking work in #DensityFunctionalTheory, which has changed drug development. bit.ly/46zca88
0
0
4
0
455

Something went wrong.


Something went wrong.


United States Trends