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TITLE: C<sub>n</sub>, C<sub>n</sub>H and their anions: Quest for linearity with n≤8 even versus odd, and beyond  Full Text
AUTHORS: Varandas, A. J. C.;
PUBLISHED: 2024, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 124, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 2
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2
TITLE: Accurate diabatization based on combined-hyperbolic-inverse-power-representation: 1,2 <SUP>2</SUP><i>A</i>′ states of BeH<sub>2</sub><SUP>+</SUP>  Full Text
AUTHORS: Guan, Yafu; Chen, Qun; Varandas, Antonio J. C.;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 160, ISSUE: 15
INDEXED IN: Scopus WOS CrossRef: 1
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4
TITLE: On the rearrangement and dissociation mechanism of SiH4+in its triply-degenerate ground state  Full Text
AUTHORS: Mondal, T.; Varandas, A. J. C.;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 160, ISSUE: 23
INDEXED IN: Scopus WOS CrossRef
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5
TITLE: Theoretical study of S plus SH reaction on its ground state HS2(X2A) potential energy surface  Full Text
AUTHORS: Tak, Anuj; Srikanth, Korutla; Kumar, Abhishek; Koner, Debasish; Gonzalez Lezana, Tomas; Varandas, A. J. C.; Rao, Tammineni Rajagopala;
PUBLISHED: 2024, SOURCE: MOLECULAR PHYSICS
INDEXED IN: Scopus WOS CrossRef
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6
TITLE: Tipping point to explain melamine's non-planarity or otherwise. Can quasi-molecules be "seen"in the parent molecule?
AUTHORS: Varandas, A. J. C.;
PUBLISHED: 2024, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 852
INDEXED IN: Scopus WOS CrossRef
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7
TITLE: Optimized infrared spectrum of (H2O)m:(HCN)n mixtures  Full Text
AUTHORS: Freitas, D. P.; Pansini, F. N. N.; Varandas, A. J. C.;
PUBLISHED: 2024, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY
INDEXED IN: Scopus WOS
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TITLE: Optimized infrared spectrum of (H2O)m:(HCN)n$$ {\left({H}_2O\right)}_m:{(HCN)}_n $$ mixtures  Full Text
AUTHORS: Freitas, DP; Pansini, FNN; Varandas, AJC;
PUBLISHED: 2024, SOURCE: Journal of Computational Chemistry
INDEXED IN: CrossRef
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9
TITLE: Ortho-Para Conversion for H+ + H2 Collision in Low Temperature: A Fully Close-Coupled Time-Dependent Wave Packet Study
AUTHORS: Hazra, Saikat; Naskar, Koushik; Adhikari, Satrajit; Varandas, Antonio J. C.;
PUBLISHED: 2024, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 128, ISSUE: 41
INDEXED IN: Scopus WOS CrossRef
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10
TITLE: Hydrogen-designed spin-states of 2D silicon carbide and graphene nanostructures  Full Text
AUTHORS: Fiorini Filho, L.; Morais, W. P.; Batista, N. N.; de Souza, F. A. L.; Varandas, A. J. C.; Paz, W. S.; Pansini, F. N. N.;
PUBLISHED: 2024, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 26, ISSUE: 41
INDEXED IN: Scopus WOS CrossRef
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