Results 261 to 270 of about 24,900 (287)

RETENTION OF SUBSTITUTED INDOLE COMPOUNDS ON RP-HPLC: CORRELATION WITH MOLECULAR CONNECTIVITY INDICES AND QUANTUM CHEMICAL DESCRIPTORS

Journal of Liquid Chromatography & Related Technologies, 1999
The capacity factors (k′) were determined by reversed phased high-performance liquid chromatography (RP-HPLC) on a C18 column for 18 substituted indoles.
Jiayin Dai, Shuchun Yao, Yanbing Ding, Liansheng Wang   +3 more
openaire   +1 more source

Structural descriptors for molecular piezoelectric crystals from high-pressure simulations and quantum crystallography

Acta Crystallographica Section A Foundations and Advances, 2023
Srijan Mondal, Ashi Singh, null Atiqur Rahman, Sajesh P. Thomas   +3 more
openaire   +1 more source

Molecular imaging in oncology: Current impact and future directions

Ca-A Cancer Journal for Clinicians, 2022
Steven P Rowe, Martin G Pomper
exaly  

Foundations of Quantum-π in Molecular Systems: A Fundamental Descriptor of Delocalization, Electronic Structure, and Molecular Stability

This work introduces quantum-π (π_eff), a new emergent constant for molecular systems that quantifies electron delocalization, nodal topology, and orbital energy spacing. Unlike the classical geometric π, π_eff arises directly from quantum-mechanical structure and serves as a predictive descriptor of aromaticity, stability, and reactivity across ...
openaire   +1 more source

Quantum chemistry calculations of S, P, and O-doping effect on the photocatalytic molecular descriptors of g-C3N4 quantum dots

Journal of the Iranian Chemical Society, 2022
Elnaz Ranjbakhsh, Mohammad Izadyar, Ali Nakhaeipour, Aziz Habibi-Yangjeh   +3 more
openaire   +1 more source

Molecular descriptors in quantum chemistry: Digging into the molecular surface

Journal of Molecular Liquids
Ossama Abdeen, Mohamed Ismael, Aly Abdou
openaire   +1 more source

QUACE: Symmetrized Molecular Descriptors on a Quantum Circuit

2024 IEEE International Conference on Quantum Computing and Engineering (QCE)
Lila Cadi Tazi, Ilyes Batatia, Alex J.W. Thom, Gábor Csánvi   +3 more
openaire   +1 more source

Quantum-Chemical Descriptors in QSAR/QSPR Studies

Chemical Reviews, 1996
Mati Karelson
exaly  

The current state of molecular testing in the treatment of patients with solid tumors, 2019

Ca-A Cancer Journal for Clinicians, 2019
Wafik S El-Deiry, Heinz-Josef Lenz, Anthony F Shields   +2 more
exaly  

Molecular cancer prevention: Current status and future directions

Ca-A Cancer Journal for Clinicians, 2015
John B Kisiel, Kenneth Y Tsai, Powel H Brown   +2 more
exaly