Articles

Hydrogen bonding in duplex DNA probed by DNP enhanced solid-state NMR N-H bond length measurements

in Genome Organization and Dynamics

• Lakshmi Bhai
• Justin K. Thomas
• Daniel W. Conroy
• Yu Xu
• Hashim M. Al-Hashimi
• Christopher P. Jaroniec

Investigating the role of network former interactions on charge carrier diffusivity in glasses

in Ceramics and Glass

• Tyler C. Salrin
• Caio B. Bragatto
• Collin J. Wilkinson

Confinement Effects of a Noble Gas Dimer Inside a Fullerene Cage: Can It Be Used as an Acceptor in a DSSC?

in Chemical Physics and Physical Chemistry

• Debolina Paul
• Harkishan Dua
• Utpal Sarkar

Revisiting Activity of Some Nocodazole Analogues as a Potential Anticancer Drugs Using Molecular Docking and DFT Calculations

in Theoretical and Computational Chemistry

• Muhammad Khattab
• Ahmed A. Al‐Karmalawy

Catalytically Active Sites on Ni5P4 for Efficient Hydrogen Evolution Reaction From Atomic Scale Calculation

in Catalysis and Photocatalysis

• Jun Hu
• Xiaofei Cao
• Xin Zhao
• Wei Chen
• Guo-ping Lu
• Yong Dan
• Zhong Chen

Visualization of the disordered structure of Fe-Ni Invar alloys by reverse monte carlo calculations

in Ceramics and Glass

• Yusuke Kubo
• Naoki Ishimatsu
• Naoto Kitamura
• Naomi Kawamura
• Sho Kakizawa
• Masaichiro Mizumaki
• Ryuichi Nomura
• Tetsuo Irifune
• Hitoshi Sumiya

Role of Chemical Structure of Support in Enhancing the Catalytic Activity of a Single Atom Catalyst Toward NRR: A Computational Study

in Theoretical and Computational Chemistry

• Thillai Govindaraja Senthamaraikannan
• Selvaraj Kaliaperumal
• Sailaja Krishnamurty

Molecular Docking and Dynamic Simulation of AZD3293 and Solanezumab Effects Against BACE1 to Treat Alzheimer's Disease

• Mubashir Hassan
• Saba Shahzadi
• Sung Y. Seo
• Hany Alashwal
• Nazar Zaki
• Ahmed A. Moustafa

Synthesis, X-ray crystallography, spectroscopic characterizations, and density functional theory of the chloride-bound five-coordinate high-spin Iron(II) “Picket Fence” porphyrin complex

in Chemical Physics and Physical Chemistry

• Feriel Salhi
• Mondher Dhifet
• Bouzid Gassoumi
• Noureddine Issaoui
• Habib Nasri

On the relationship between the mechanical strength and mineral microstructure of biotite granite under temperature influence

in Solid Earth Geophysics

• Yuyang Huang
• Tianbin Li

Preclinical Investigation of Alpinetin in the Treatment of Cancer-Induced Cachexia via Activating PPARγ

in Pharmacology of Anti-Cancer Drugs

• Yujie Zhang
• Yuxin Zhang
• Yichen Li
• Li Zhang
• Shiying Yu

Low-Lying Electronic States of the Nickel Dimer

in Theoretical and Computational Chemistry

• Patrick K. Tamukong
• Mark R. Hoffmann

Comprehensive synthesis and characterization of a novel Fe–porphyrin complex: crystal structure, spectroscopic investigations, Hirshfeld surface analysis, and computational modeling (DFT, QTAIM-NCI/ELF)

in Supramolecular Chemistry

• Mondher Dhifet
• Lelfia Guelmami
• Khadija Zaki
• Imen Zghab
• Abdelouahid Sbai
• Bouzid Gassoumi

Structural and Functional Determinants of Rodent and Human Surfactant Protein A: A Synthesis of Binding and Computational Data

in Molecular Innate Immunity

• Armen Nalian
• Todd M. Umstead
• Ching-Hui Yang
• Patricia Silveyra
• Neal J. Thomas
• Joanna Floros
• Francis X. McCormack
• Zissis C. Chroneos