☆ 4.6 Article

Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT

ACS OMEGA (2023)

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Review Chemistry, Multidisciplinary

Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives

Frank Weinhold

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

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Review Chemistry, Multidisciplinary

Natural bond orbital methods

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WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

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Article Chemistry, Physical

Molecular Model with Quantum Mechanical Bonding Information

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JOURNAL OF PHYSICAL CHEMISTRY A (2011)

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Article Chemistry, Physical

Validity of the Extended Koopmans' Theorem

Matthias Ernzerhof

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Review Biochemistry & Molecular Biology

5-fluorouracil: Mechanisms of resistance and reversal strategies

Ning Zhang et al.

MOLECULES (2008)

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Article Chemistry, Physical

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

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Review Chemistry, Multidisciplinary

Quantum mechanical continuum solvation models

J Tomasi et al.

CHEMICAL REVIEWS (2005)

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Article Chemistry, Multidisciplinary

Accurate description of van der Waals complexes by density functional theory including empirical corrections

S Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

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Article Chemistry, Physical

Intermolecular reactivity through the generalized philicity concept

R Parthasarathi et al.

CHEMICAL PHYSICS LETTERS (2004)

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Letter Chemistry, Physical

Philicity: A unified treatment of chemical reactivity and selectivity

PK Chattaraj et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2003)

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Review Oncology

5-Fluorouracil: Mechanisms of action and clinical strategies

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NATURE REVIEWS CANCER (2003)

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