Frank Weinhold - researchr alias

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Viewing Publication 1 - 20 from 20

2021

Time-Conjugation in a Unified Quantum Theory for Hermitian and Non-Hermitian Electronic Systems under Time-Reversal SymmetryFrank Weinhold. symmetry, 13(5):808, 2021. [doi]

Comment on "Superposition of Waves or Densities: Which Is the Nature of Chemical Resonance?" [J. Comput. Chem. 2021 , 42, 412-417]Frank Weinhold, Eric D. Glendening. jcc, 42(19):1338-1340, 2021. [doi]

2019

Efficient optimization of natural resonance theory weightings and bond orders by gram-based convex programmingEric D. Glendening, Stephen J. Wright, Frank Weinhold. jcc, 40(23):2028-2035, 2019. [doi]

NBO 7.0: New vistas in localized and delocalized chemical bonding theoryEric D. Glendening, Clark R. Landis, Frank Weinhold. jcc, 40(25):2234-2241, 2019. [doi]

To Be or Not to Be: Demystifying the 2nd-Quantized Picture of Complex Electronic Configuration Patterns in Chemistry with Natural Poly-Electron Population AnalysisKaterina Kyriakidou, Padeleimon Karafiloglou, Eric D. Glendening, Frank Weinhold. jcc, 40(15):1509-1520, 2019. [doi]

2016

18-electron rule and the 3c/4e hyperbonding saturation limitClark R. Landis, Frank Weinhold. jcc, 37(2):237-241, 2016. [doi]

2014

Bay-type H···H "bonding" in cis-2-butene and related species: QTAIM versus NBO descriptionFrank Weinhold, Paul von Ragué Schleyer, William Chadwick McKee. jcc, 35(20):1499-1508, 2014. [doi]

2013

NBO 6.0: Natural bond orbital analysis programEric D. Glendening, Clark R. Landis, Frank Weinhold. jcc, 34(16):1429-1437, 2013. [doi]

Erratum: NBO 6.0: Natural bond orbital analysis programEric D. Glendening, Clark R. Landis, Frank Weinhold. jcc, 34(24):2134, 2013. [doi]

2012

Natural bond critical point analysis: Quantitative relationships between natural bond orbital-based and QTAIM-based topological descriptors of chemical bondingFrank Weinhold. jcc, 33(30):2440-2449, 2012. [doi]

Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectivesFrank Weinhold. jcc, 33(30):2363-2379, 2012. [doi]

2011

2007

Valence and extra-valence orbitals in main group and transition metal bondingClark R. Landis, Frank Weinhold. jcc, 28(1):198-203, 2007. [doi]

2000

Natural resonance theory. I. General formalismSteven Feldgus, Clark R. Landis, Eric D. Glendening, Frank Weinhold. jcc, 21(5):411-413, 2000. [doi]

1998

Natural resonance theory: III. Chemical applicationsEric D. Glendening, J. K. Badenhoop, Frank Weinhold. jcc, 19(6):628-646, 1998. [doi]

Natural resonance theory: I. General formalismEric D. Glendening, Frank Weinhold. jcc, 19(6):593-609, 1998. [doi]

Natural resonance theory: II. Natural bond order and valencyEric D. Glendening, Frank Weinhold. jcc, 19(6):610-627, 1998. [doi]

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