Physical Chemistry Chemical Physics

JOURNAL published

Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Authors: Alejandro Blasco-Brusola | Lorena Tamarit | Miriam Navarrete-Miguel | Daniel Roca-Sanjuán | Miguel Miranda | Ignacio Vayá

Atomic Insights into the Interaction of N2, CO2, NH3, NO, and NO2 Gas Molecules with the Zn2(V, Nb, Ta)N3 Ternary Nitride Monolayers

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Authors: Andrey Kistanov

SadNet: a novel multimodal fusion network for protein–ligand binding affinity prediction

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (62272214) | National Key Research and Development Program of China (2020YFA071360)

Authors: Qiansen Hong | Guoqiang Zhou | Yuke Qin | Jun Shen | Haoran Li

Enhanced intramolecular charge transfer and near-infrared fluorescence in 4-dimethylamino-chalcone analogues through extended conjugation: synthesis, photophysical properties, and theoretical modelling

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Research funded by Sultan Qaboos University (CL/SQU\QU/SCI/24/01,IG/SCI/CHEM/24/05) | Arab-German Young Academy of Sciences and Humanities (01DL16002,01DL20003)

Authors: Balqees S. Al-Saadi | A. Ramadan Ibrahim | John Husband | Ahmed H. Ismail | Younis Baqi | Osama K. Abou-Zied

High-temperature molecular line list of hydroboron monoxide (HBO)

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (52106098,52076123) | Natural Science Foundation of Shandong Province (ZR2021QE021)

Authors: Ximing Li | Zhi Qin | Linhua Liu

Realization of efficient and selective NO and NO₂ detection via surface functionalized h-B₂S₂ monolayer

JOURNAL ARTICLE published 2024 in Physical Chemistry Chemical Physics

Research funded by Department of Science and Technology, Ministry of Science and Technology, India (DST/INSPIRE Fellowship/2018/IF180745)

Authors: Upasana Nath | Manabendra Sarma

Optical response and gas sequestration properties of metal cluster supported graphene nanoflakes

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: Debdutta Chakraborty | Pratim Kumar Chattaraj

Fullerenol C₆₀(OH)₁₆ prevents amyloid fibrillization of Aβ₄₀ – in vitro and in silico approach

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: Zuzana Bednarikova | Pham Dinh Quoc Huy | Maria-Magdalena Mocanu | Diana Fedunova | Mai Suan Li | Zuzana Gazova

PCl₃–C₆H₆ heterodimers: evidence for P⋯π phosphorus bonding at low temperatures

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: N. Ramanathan | K. Sankaran | K. Sundararajan

The structure of liquid water beyond the first hydration shell

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: Andrés Henao | Sebastian Busch | Elvira Guàrdia | Josep Lluis Tamarit | Luis Carlos Pardo

Photofragmentation mechanisms in protonated chiral cinchona alkaloids

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by Agence Nationale de la Recherche (ANR-14-CE06-0019-03)

Authors: Sunil Kumar | Bruno Lucas | Jacqueline Fayeton | Debora Scuderi | Ivan Alata | Michel Broquier | Katia Le Barbu-Debus | Valeria Lepère | Anne Zehnacker

The transport properties of silicon and carbon nanotubes at the atomic scale: a first-principles study

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (21203020,31401201,21403081,21403033)

Authors: Tengying Ma | Shizheng Wen | Likai Yan | Caixia Wu | Chunmei Zhang | Min Zhang | Zhongmin Su

A first-principles study of pressure-induced phase transformation in a rare-earth formate framework

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (61138006 and 21571072)

Authors: Soumya S. Bhat | Wei Li | Anthony K. Cheetham | Umesh V. Waghmare | Upadrasta Ramamurty

The reaction current distribution in battery electrode materials revealed by XPS-based state-of-charge mapping

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by Office of Science (DESC0001160)

Authors: Alexander J. Pearse | Eleanor Gillette | Sang Bok Lee | Gary W. Rubloff

Nanoporous two-dimensional MoS₂ membranes for fast saline solution purification

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (11405146)

Authors: Jianlong Kou | Jun Yao | Lili Wu | Xiaoyan Zhou | Hangjun Lu | Fengmin Wu | Jintu Fan

Photoionization of N,N,N′N′-tetramethylbenzidine in chromium silicoaluminophosphate microporous materials

JOURNAL ARTICLE published 2001 in Physical Chemistry Chemical Physics

Authors: Koodali T. Ranjit | Larry Kevan

A theoretical study of the prereaction process of the H···HF van der Waals molecule

JOURNAL ARTICLE published 1999 in Physical Chemistry Chemical Physics

Authors: Toshiyuki Takayanagi | Yuzuru Kurosaki

The use of threshold photoelectron–photoion coincidence spectroscopy to probe the spectroscopic and dynamic properties of the valence states of CCl3F+, CCl3H+ and CCl3Br+

JOURNAL ARTICLE published 2000 in Physical Chemistry Chemical Physics

Authors: D. P. Seccombe | R. Y. L. Chim | G. K. Jarvis | R. P. Tuckett

Adsorption of methanol, formaldehyde and formic acid on the Si(100)-2×1 surface: A computational study

JOURNAL ARTICLE published 2001 in Physical Chemistry Chemical Physics

Authors: Xin Lu | Qianer Zhang | M. C. Lin