Search Result "Hartree"

Multinucleon transfer reaction in time-dependent Hartree-Fock theory

Ebook: Frontiers in Nuclear and Particle Physics
Volume: 2 Year: 2019
Author(s): Kazuyuki Sekizawa,Kazuhiro Yabana
Doi: 10.2174/9781681087641119020007

Review Article

Quantum Mechanical (QM) Calculations Applied to ADMET Drug Prediction: A Review

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 511-526
Author(s): E. F. Silva-Júnior,T. M. Aquino,J. X. Araújo-Júnior

Review Article

Ab initio study of the LOM-AKH-I peptide in gas­ phase environment

Journal: Protein & Peptide Letters
Volume: 7 Issue: 2 Year: 2000 Page: 113-116
Author(s): Igor Z. Zubrzycki

Synthesis and Reactions of β-Oxophosphoranes / Ylides Containing a Cyclic or Acyclic P-Moiety

Journal: Current Organic Chemistry
Volume: 8 Issue: 1 Year: 2004 Page: 1245-1261
Author(s): Gyorgy Keglevich, Henrietta Forintos, Tamas Kortvelyesi

Cluster states in stable and unstable nuclei

Ebook: Frontiers in Nuclear and Particle Physics
Volume: 2 Year: 2019
Author(s): M. Kimura
Doi: 10.2174/9781681087641119020015

Research Article

Computational and Experimental Investigations of 7-(4-nitrophenyl)benzo[6,7]chromeno[3,2-e]pyrido[1,2-a]pyrimidin-6(7h)-one

Journal: Letters in Organic Chemistry
Volume: 19 Issue: 9 Year: 2022 Page: 784-794
Author(s):

Density constrained TDHF

Ebook: Frontiers in Nuclear and Particle Physics
Volume: 2 Year: 2019
Author(s): V.E. Oberacker,A.S. Umar
Doi: 10.2174/9781681087641119020006

Research Article

QSPR Models to Predict Thermodynamic Properties of Cycloalkanes Using Molecular Descriptors and GA-MLR Method

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 1 Year: 2020 Page: 6-16
Author(s): Daryoush Joudaki,Fatemeh Shafiei

QSAR Study and Design of Novel Organoselenium and α-Tocopherol Derivatives with Enhanced Chemotherapeutic Activity

Journal: Letters in Drug Design & Discovery
Volume: 6 Issue: 3 Year: 2009 Page: 228-235
Author(s): Katarina Nikolic, Danica Agbaba

Research Article

Arylsulfonylhydrazone Induced Apoptosis in MDA-MB-231 Breast Cancer Cells

Journal: Letters in Drug Design & Discovery
Volume: 15 Issue: 1 Year: 2018 Page: 1288-1298
Author(s): Thais Batista Fernandes,Ricardo Alexandre de Azevedo,Rosania Yang,Sarah Fernandes Teixeira,Gustavo Henrique Goulart Trossini,Jose Alexandre Marzagao Barbuto,Adilson Kleber Ferreira,Roberto Parise-Filho

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