Paper Review Records
All Paper Review Records
10 valid samples · Newest publication first
Review days = acceptance date − received date. PDF, DOI, and publisher-page sources are retained.
Extended global area search algorithm for unimolecular reactions and multistep conformational transitions
AuthorsTakechika Kikkawa; Shusuke Yamanaka; Takashi Kawakami; Mitsutaka Okumura; Mitsuo Shoji
Affiliations1. Osaka University; 2. Institute for Open and Transdisciplinary Research Initiatives; 3. University of Tsukuba
Electronic structure and superalkali character of Li-functionalized polycyclic carbon systems
AuthorsHarshita Srivastava; Ambrish Kumar Srivastava
Affiliations1. Deen Dayal Upadhyaya Gorakhpur University
The roles of π … lone pair, π … sigma, π … π, and C-Cl … Cl-C interactions in vitrified and solvent-evaporated liquid crystalline phases of itraconazole: MD simulations and ab initio studies
AuthorsAli Aminian
Affiliations1. August Chełkowski Institute of Physics, University of Silesia in Katowice
Chiral Pt(Me-BPCH): synthesis and theoretical investigation of parity violation sensitivity
AuthorsEduardus; Wietze J. van Boven; Charles Silva; Philip J. Karageorghis; D. Scott Bohle; Benoît Darquié; Anastasia Borschevsky; Lukáš F. Pašteka
Affiliations1. University of Groningen; 2. McGill University; 3. Université Sorbonne Paris Nord; 4. Comenius University
High resolution GHz and THz (FTIR) spectroscopy and quantum dynamics of tunnelling in aniline
AuthorsGunther Wichmann; Sieghard Albert; Philippe Lerch; Karen Keppler; Martin Quack
Affiliations1. ETH Zürich
Relativistic effects are crucial for uranium-phosphorus bonding: a DFT study of cyclopentadienyluranium-phosphine complexes
AuthorsJan-Erik Ahrens; Paul Jerabek; Lisa Vondung
Affiliations1. University of Hamburg; 2. Helmholtz-Zentrum Hereon
Predicting power conversion efficiency of dyes in dye-sensitised solar cells
AuthorsJiajia Tan; Chunli Xie; Bowen Yang; Jiyong Deng; Xinliang Yu
Affiliations1. College of Materials and Chemical Engineering, Hunan Institute of Engineering
First-principles study of the photocatalytic properties of CdS/In 2 Te 3 heterostructure
AuthorsYing Jiang; Xianbin Zhang; Xiaoyue Lu
Affiliations1. Xi'an University of Technology
Study on the aromaticity of pyrrole-modified subporphyrins containing nitrogen units
AuthorsXingjia Gu; Yuting Wang; Yucai Zhang; Xiaomin Wang
Affiliations1. Kashi University
Microwave-assisted and conventional synthesis, characterisation, and DFT-based property prediction of BT-based (D–A) n and (A–D–A) n π-conjugated oligomers
AuthorsBeatriz Lagunas-Simón; María Aurora Veloz-Rodríguez; Arián Espinosa-Roa; Oscar Javier Hernández Ortiz
Affiliations1. Universidad Autónoma del Estado de Hidalgo (UAEH); 2. SECIHTI-Centro de Investigación en Química Aplicada (CIQA), Alianza Sur No. 204, Parque de Investigación e Innovación Tecnológica (PIIT)
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