1-20 of 131
UV-visible spectroscopy
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Photolysis of the peptide bond at 193 and 222 nm

Open Access
Nicholas Drachman, Jacob Vietorisz, Andrew J. Winchester, Robert Vest, Gregory A. Cooksey, Sujitra Pookpanratana, Derek Stein
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 165104 (2025)
https://doi.org/10.1063/5.0257551
Published: April 2025
View articletitled, Photolysis of the peptide bond at 193 and 222 nm
Open the PDF for Photolysis of the peptide bond at 193 and 222 nm in another window
Journal Articles

A new electronic transition in vanadium fluoride, VF

Available to Purchase
Grant A. Luce, James Bradley, Thomas D. Varberg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144301 (2025)
https://doi.org/10.1063/5.0262155
Published: April 2025
View articletitled, A new electronic transition in vanadium fluoride, VF
Open the PDF for A new electronic transition in vanadium fluoride, VF in another window
Journal Articles

MView: A pre- and post-processing tool for quantum chemistry calculation

Available to Purchase
Zhichao Huang, Jianwei Zhao, Lei Yang, Jiajie Zhu, Ranran Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 132501 (2025)
https://doi.org/10.1063/5.0250561
Published: April 2025
View articletitled, MView: A pre- and post-processing tool for quantum chemistry calculation
Open the PDF for MView: A pre- and post-processing tool for quantum chemistry calculation in another window
Journal Articles

Surface structure characterization of rubrene(001) single crystal with sum frequency generation spectroscopy and reflection high-energy electron diffraction

Available to Purchase
S. A. Shah, H. Vali, Daijiro Okaue, Ken-ichi Fukui, D.-S. Yang, S. Baldelli
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 014701 (2025)
https://doi.org/10.1063/5.0236513
Published: January 2025
View articletitled, Surface structure characterization of rubrene(001) single crystal with sum frequency generation spectroscopy and reflection high-energy electron diffraction
Open the PDF for Surface structure characterization of rubrene(001) single crystal with sum frequency generation spectroscopy and reflection high-energy electron diffraction in another window
Journal Articles

Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce ( H 2 O ) n 3 + using statistical methods and quantum chemistry calculations

Available to Purchase
Gema Raposo-Hernández, Rafael R. Pappalardo, Florent Réal, Valérie Vallet, Enrique Sánchez Marcos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144109 (2024)
https://doi.org/10.1063/5.0228155
Published: October 2024
View articletitled, Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce ( H 2 O ) n 3 + using statistical methods and quantum chemistry calculations
Open the PDF for Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce ( H 2 O ) n 3 + using statistical methods and quantum chemistry calculations in another window
Journal Articles

Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes

Open Access
Luca Bertini, Valeria Libera, Sara Catalini, Giorgio Schirò, Andrea Orecchini, Renzo Campanella, Valentina Arciuolo, Bruno Pagano, Caterina Petrillo, Cristiano De Michele, Lucia Comez, Alessandro Paciaroni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 105101 (2024)
https://doi.org/10.1063/5.0225371
Published: September 2024
View articletitled, Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes
Open the PDF for Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes in another window
Journal Articles

Revisiting the structure of [PdAu9(PPh3)8(CN)]2+ produced by atmospheric pressure plasma irradiation of [PdAu8(PPh3)8]2+ in methanol

Available to Purchase
Takumi Imagawa, Shun Ito, Frank Hennrich, Marco Neumaier, Patrick Weis, Kiichirou Koyasu, Manfred M. Kappes, Tatsuya Tsukuda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 024303 (2024)
https://doi.org/10.1063/5.0219959
Published: July 2024
View articletitled, Revisiting the structure of [PdAu9(PPh3)8(CN)]2+ produced by atmospheric pressure plasma irradiation of [PdAu8(PPh3)8]2+ in methanol
Open the PDF for Revisiting the structure of [PdAu9(PPh3)8(CN)]2+ produced by atmospheric pressure plasma irradiation of [PdAu8(PPh3)8]2+ in methanol in another window
Journal Articles

Structures and dynamics of 8-oxo-7,8-dihydro-2′-deoxyguanosine in neutral and basic aqueous solutions by spectroscopy

Available to Purchase
Guixiu Wang, Pengyun Yu, Jianping Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 024201 (2024)
https://doi.org/10.1063/5.0209256
Published: July 2024
View articletitled, Structures and dynamics of 8-oxo-7,8-dihydro-2′-deoxyguanosine in neutral and basic aqueous solutions by spectroscopy
Open the PDF for Structures and dynamics of 8-oxo-7,8-dihydro-2′-deoxyguanosine in neutral and basic aqueous solutions by spectroscopy in another window
Journal Articles

Novel S–N/WO3: Optimization of photocatalytic performance of WO3 by simultaneous existence of S and N in WO3 against MB dye

Available to Purchase
Ayesha Younas, Rana Mustansar Munir, Hassan Imam Rizvi, Tahir Iqbal, Sumera Afsheen, K. N. Riaz, Asad Syed, Abdallah M. Elgorban, Ling Shing Wong
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 244201 (2024)
https://doi.org/10.1063/5.0213551
Published: June 2024
View articletitled, Novel S–N/WO3: Optimization of photocatalytic performance of WO3 by simultaneous existence of S and N in WO3 against MB dye
Open the PDF for Novel S–N/WO3: Optimization of photocatalytic performance of WO3 by simultaneous existence of S and N in WO3 against MB dye in another window
Journal Articles

Primary processes of the archetypal model complex azido(porphinato)iron(III) from ultrafast vibrational–electronic spectroscopy

Available to Purchase
Stefan Flesch, Luis I. Domenianni, Peter Vöhringer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214310 (2024)
https://doi.org/10.1063/5.0204617
Published: June 2024
View articletitled, Primary processes of the archetypal model complex azido(porphinato)iron(III) from ultrafast vibrational–electronic spectroscopy
Open the PDF for Primary processes of the archetypal model complex azido(porphinato)iron(III) from ultrafast vibrational–electronic spectroscopy in another window
Includes: Supplementary data
Journal Articles

Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations

Available to Purchase
Terrence L. Stahl, Alexander Yu. Sokolov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 204104 (2024)
https://doi.org/10.1063/5.0207684
Published: May 2024
View articletitled, Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations
Open the PDF for Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations in another window
Includes: Supplementary data
Journal Articles

Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy

Open Access
L. Denninger, H. Brunst, L. J. G. W. van Wilderen, M. Horz, H. M. A. Masood, C. D. McNitt, I. Burghardt, V. V. Popik, J. Bredenbeck
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 174201 (2024)
https://doi.org/10.1063/5.0196923
Published: May 2024
View articletitled, Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy
Open the PDF for Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy in another window
Includes: Supplementary data
Journal Articles

Computational investigation of structural, electronic, and spectroscopic properties of Ni and Zn metalloporphyrins with varying anchoring groups

Open Access
Beenish Bashir, Maha M. Alotaibi, Andre Z. Clayborne
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 134305 (2024)
https://doi.org/10.1063/5.0191858
Published: April 2024
View articletitled, Computational investigation of structural, electronic, and spectroscopic properties of Ni and Zn metalloporphyrins with varying anchoring groups
Open the PDF for Computational investigation of structural, electronic, and spectroscopic properties of Ni and Zn metalloporphyrins with varying anchoring groups in another window
Includes: Supplementary data
Journal Articles

Metal complex as p-type dopant-based organic spiro-OMeTAD hole-transporting material for free-Li-TFSI perovskite solar cells

Available to Purchase
Mohammed Elawad, Abdalla A. Elbashir, Muhammad Sajid, Kingsley Igenepo John, Hassan Nimir, Li Yang, Abobakr K. Ziyada, Abdelbagi Osman, Fahd Rajab
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044707 (2024)
https://doi.org/10.1063/5.0176351
Published: January 2024
View articletitled, Metal complex as p-type dopant-based organic spiro-OMeTAD hole-transporting material for free-Li-TFSI perovskite solar cells
Open the PDF for Metal complex as p-type dopant-based organic spiro-OMeTAD hole-transporting material for free-Li-TFSI perovskite solar cells in another window
Includes: Supplementary data
Journal Articles

Effect of film morphology on circular dichroism of low-dimensional chiral hybrid perovskites

Free
Urmila Makhija, Parikshit Kumar Rajput, Pavithra Parthiban, Angshuman Nag
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 021102 (2024)
https://doi.org/10.1063/5.0185850
Published: January 2024
View articletitled, Effect of film morphology on circular dichroism of low-dimensional chiral hybrid perovskites
Open the PDF for Effect of film morphology on circular dichroism of low-dimensional chiral hybrid perovskites in another window
Includes: Supplementary data
Journal Articles

High level ab initio and density functional study of TeF6+ and TeCl6+: Attainability of +7 oxidation state for tellurium

Editor’s PickAvailable to Purchase
Joonghan Kim, Eunji Park, Jeongmin Park, Jungyoon Kim, Kihwan Yoon, Dakyeung Oh, Junho Lee, Tae Wu Kim, Tae Kyu Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 154301 (2023)
https://doi.org/10.1063/5.0145599
Published: April 2023
View articletitled, High level ab initio and density functional study of TeF6+ and TeCl6+: Attainability of +7 oxidation state for tellurium
Open the PDF for High level ab initio and density functional study of TeF6+ and TeCl6+: Attainability of +7 oxidation state for tellurium in another window
Includes: Supplementary data
Journal Articles

Direct observation of conformations of a high-mobility n-type low-bandgap copolymer in solutions and solid films

Available to Purchase
Xinmao Li, Jianxin Guan, Chengzhen Shen, Zhihao Yu, Junrong Zheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 064202 (2023)
https://doi.org/10.1063/5.0134807
Published: February 2023
View articletitled, Direct observation of conformations of a high-mobility n-type low-bandgap copolymer in solutions and solid films
Open the PDF for Direct observation of conformations of a high-mobility n-type low-bandgap copolymer in solutions and solid films in another window
Includes: Supplementary data
Journal Articles

Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C60 molecule

Available to Purchase
Masato Nakaya, Takuya Kawai, Shinta Watanabe, Jun Onoe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 054701 (2023)
https://doi.org/10.1063/5.0134207
Published: February 2023
View articletitled, Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C60 molecule
Open the PDF for Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C60 molecule in another window
Includes: Supplementary data
Journal Articles

Communication: Electronic transition of the l–C6+ cation at 417 nm

Free
Jason E. Colley, Dylan S. Orr, Michael A. Duncan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 121102 (2022)
https://doi.org/10.1063/5.0106183
Published: September 2022
View articletitled, Communication: Electronic transition of the l–C6+ cation at 417 nm
Open the PDF for Communication: Electronic transition of the l–C6+ cation at 417 nm in another window
Includes: Supplementary data
Journal Articles

Structural prediction of anion thiolate protected gold clusters of [Au28+7n(SR)17+3n]− (n = 0–4)

Available to Purchase
Endong Wang, Junxia Ding, Wenhua Han, Shixia Luan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 124303 (2022)
https://doi.org/10.1063/5.0105226
Published: September 2022
View articletitled, Structural prediction of anion thiolate protected gold clusters of [Au28+7n(SR)17+3n]− (n = 0–4)
Open the PDF for Structural prediction of anion thiolate protected gold clusters of [Au28+7n(SR)17+3n]− (n = 0–4) in another window
Includes: Supplementary data