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Physical Chemistry Chemical Physics : PCCP|December 19, 2012
A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solutionKęstutis Aidas, Hans Ågren, Jacob Kongsted, et al.
Journal of Computational Chemistry|April 2, 2015
Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroanilineRobert Zaleśny, Guangjun Tian, Christof Hättig, et al.
Organic Letters|December 9, 2014
Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrrolesKai Zhang, Pingchun Wei, Xin Li, et al.
Small (Weinheim an Der Bergstrasse, Germany)|July 31, 2025
Stabilizing Dye-Sensitized Upconversion Nanosystems via Singlet Oxygen Spin FlippingChang Jiang, Yang Li, Tao Jia, et al.
ACS Chemical Neuroscience|August 28, 2023
Insight into the Binding of First- and Second-Generation PET Tracers to 4R and 3R/4R Tau ProtofibrilsJunhao Li, Amit Kumar, Bengt Långström, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 29, 2011
Theoretical studies on the photoinduced rearrangement mechanism of α-santoninXing Chen, Zilvinas Rinkevicius, Yi Luo, et al.
Physical Chemistry Chemical Physics : PCCP|April 4, 2014
Non-linear optical properties of molecules in heterogeneous environments: a quadratic density functional/molecular mechanics response theoryZilvinas Rinkevicius, Xin Li, Jaime A R Sandberg, et al.
Advanced Materials (Deerfield Beach, Fla.)|July 29, 2021
Black Phosphorus/Polymers: Status and ChallengesYe Zhang, Chunyang Ma, Jianlei Xie, et al.
Physical Chemistry Chemical Physics : PCCP|July 21, 2017
Local decomposition of imaginary polarizabilities and dispersion coefficientsIgnat Harczuk, Balazs Nagy, Frank Jensen, et al.
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