Works matching AU Pan, Sudip

Results: 99

Effects of Temperature on Enantiomerization Energy and Distribution of Isomers in the Chiral Cu 13 Cluster.

Published in:

Molecules, 2021, v. 26, n. 18, p. 5710, doi. 10.3390/molecules26185710

By:

Castillo-Quevedo, Cesar;
Buelna-Garcia, Carlos Emiliano;
Paredes-Sotelo, Edgar;
Robles-Chaparro, Eduardo;
Zamora-Gonzalez, Edgar;
Martin-del-Campo-Solis, Martha Fabiola;
Quiroz-Castillo, Jesus Manuel;
del-Castillo-Castro, Teresa;
Martínez-Guajardo, Gerardo;
de-Leon-Flores, Aned;
Cortez-Valadez, Manuel;
Ortiz-Chi, Filiberto;
Gaxiola, Tulio;
Castillo, Santos Jesus;
Vásquez-Espinal, Alejandro;
Pan, Sudip;
Cabellos, Jose Luis

Publication type:

Article

A Critical Look at Linus Pauling's Influence on the Understanding of Chemical Bonding.

Published in:

Molecules, 2021, v. 26, n. 15, p. 4695, doi. 10.3390/molecules26154695

By:

Pan, Sudip;
Frenking, Gernot

Publication type:

Article

How Far Can One Push the Noble Gases Towards Bonding?: A Personal Account.

Published in:

Molecules, 2019, v. 24, n. 16, p. 2933, doi. 10.3390/molecules24162933

By:

Saha, Ranajit;
Jana, Gourhari;
Pan, Sudip;
Merino, Gabriel;
Chattaraj, Pratim Kumar

Publication type:

Article

Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions.

Published in:

Molecules, 2016, v. 21, n. 11, p. 1477, doi. 10.3390/molecules21111477

By:

Saha, Ranajit;
Pan, Sudip;
Chattaraj, Pratim K.

Publication type:

Article

Dynamical behavior of Borospherene: A Nanobubble.

Published in:

Scientific Reports, 2015, p. 11287, doi. 10.1038/srep11287

By:

Martínez-Guajardo, Gerardo;
Luis Cabellos, José;
Díaz-Celaya, Andres;
Pan, Sudip;
Islas, Rafael;
Chattaraj, Pratim K.;
Heine, Thomas;
Merino, Gabriel

Publication type:

Article

Global Planar Tetra‐, Penta‐ and Hexa‐coordinate Silicon Clusters Constructed by Decorating SiO3 with Alkali Metals.

Published in:

ChemPhysChem, 2023, v. 24, n. 15, p. 1, doi. 10.1002/cphc.202300257

By:

Wang, Meng‐hui;
Fei, De‐hou;
Chen, Chen;
Liu, Yu‐qian;
Pan, Sudip;
Cui, Zhong‐hua

Publication type:

Article

BH4Ng+ (Ar−Rn): Viable Compounds with a B−Ng Covalent Bond.

Published in:

ChemPhysChem, 2023, v. 24, n. 4, p. 1, doi. 10.1002/cphc.202200601

By:

Pino‐Rios, Ricardo;
Vásquez‐Espinal, Alejandro;
Pan, Sudip;
Cerpa, Erick;
Tiznado, William;
Merino, Gabriel

Publication type:

Article

Hitting the Bull's Eye: Stable HeBeOH+ Complex.

Published in:

ChemPhysChem, 2022, v. 23, n. 23, p. 1, doi. 10.1002/cphc.202200587

By:

Yun, Gai‐ru;
Li, Hai‐xia;
Cabellos, Jose Luis;
Tiznado, William;
Cui, Zhong‐hua;
Pan, Sudip

Publication type:

Article

Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π‐System.

Published in:

ChemPhysChem, 2020, v. 21, n. 2, p. 145, doi. 10.1002/cphc.201900998

By:

Yañez, Osvaldo;
Báez‐Grez, Rodrigo;
Garza, Jorge;
Pan, Sudip;
Barroso, Jorge;
Vásquez‐Espinal, Alejandro;
Merino, Gabriel;
Tiznado, William

Publication type:

Article

Planar Pentacoordinate Halogens.

Published in:

Angewandte Chemie, 2025, v. 137, n. 4, p. 1, doi. 10.1002/ange.202416057

By:

Cui, Li‐juan;
Miao, Lin‐hong;
Orozco‐Ic, Mesías;
Li, Lu;
Pan, Sudip;
Merino, Gabriel;
Cui, Zhong‐hua

Publication type:

Article

B 3 Al 4 + : A Three-Dimensional Molecular Reuleaux Triangle.

Published in:

Molecules, 2022, v. 27, n. 21, p. 7407, doi. 10.3390/molecules27217407

By:

Bai, Li-Xia;
Orozco-Ic, Mesías;
Zarate, Ximena;
Sundholm, Dage;
Pan, Sudip;
Guo, Jin-Chang;
Merino, Gabriel

Publication type:

Article

Eyringpy: A program for computing rate constants in the gas phase and in solution.

Published in:

International Journal of Quantum Chemistry, 2019, v. 119, n. 2, p. N.PAG, doi. 10.1002/qua.25686

By:

Dzib, Eugenia;
Cabellos, José Luis;
Ortíz‐Chi, Filiberto;
Pan, Sudip;
Galano, Annia;
Merino, Gabriel

Publication type:

Article

A noble interaction: An assessment of noble gas binding ability of metal oxides (metal = Cu, Ag, Au).

Published in:

International Journal of Quantum Chemistry, 2016, v. 116, n. 13, p. 1016, doi. 10.1002/qua.25121

By:

Pan, Sudip;
Saha, Ranajit;
Kumar, Anand;
Gupta, Ashutosh;
Merino, Gabriel;
Chattaraj, Pratim K.

Publication type:

Article

Three-dimensional networks containing rectangular Sr4 and Ba4 units: Synthesis, structure, bonding, and potential application for Ne gas separation.

Published in:

International Journal of Quantum Chemistry, 2015, v. 115, n. 20, p. 1501, doi. 10.1002/qua.24970

By:

Mandal, Subhajit;
Pan, Sudip;
Deb, Dibakar;
Giri, Santanab;
Duley, Soma;
Radenković, Slavko;
Cooper, David L.;
Bultinck, Patrick;
Anoop, Anakuthil;
Bhattacharjee, Manish;
Chattaraj, Pratim K.

Publication type:

Article

Bonding in M(NHBMe)2 and M[Mn(CO)5]2 complexes (M=Zn, Cd, Hg; NHBMe=(HCNMe)2B): divalent group 12 metals with zero oxidation state.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 6, p. 1, doi. 10.1007/s00214-021-02751-y

By:

Pan, Sudip;
Zhao, Lili;
Frenking, Gernot

Publication type:

Article

Microsolvation of lithium–phosphorus double helix: a DFT study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 6, p. N.PAG, doi. 10.1007/s00214-019-2462-x

By:

Jana, Gourhari;
Jha, Ruchi;
Pan, Sudip;
Chattaraj, Pratim Kumar

Publication type:

Article

Chemical bonding in the hexamethylbenzene-SO2+ dication.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 3, p. 1, doi. 10.1007/s00214-019-2434-1

By:

Pecher, Lisa;
Pan, Sudip;
Frenking, Gernot

Publication type:

Article

Why CpAl–Cr(CO)5 is linear while CpIn–Cr(CO)5 is not? Understanding the structure and bonding of the CpE–Cr(CO)5 (E = Group 13 element) complexes.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 10, p. 1, doi. 10.1007/s00214-016-1993-7

By:

Mondal, Sukanta;
Osorio, Edison;
Pan, Sudip;
Cabellos, José Luis;
Martínez, Saul;
Florez, Elizabeth;
Merino, Gabriel

Publication type:

Article

Encapsulation of small gas molecules and rare gas atoms inside the octa acid cavitand.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 5, p. 1, doi. 10.1007/s00214-016-1876-y

By:

Chakraborty, Debdutta;
Pan, Sudip;
Chattaraj, Pratim K.

Publication type:

Article

Planar Pentacoordinate Halogens.

Published in:

Angewandte Chemie International Edition, 2025, v. 64, n. 4, p. 1, doi. 10.1002/anie.202416057

By:

Cui, Li‐juan;
Miao, Lin‐hong;
Orozco‐Ic, Mesías;
Li, Lu;
Pan, Sudip;
Merino, Gabriel;
Cui, Zhong‐hua

Publication type:

Article

Li6E5Li6: Tetrel Sandwich Complexes with 10‐π‐Electrons.

Published in:

Angewandte Chemie International Edition, 2024, v. 63, n. 5, p. 1, doi. 10.1002/anie.202317848

By:

Inostroza, Diego;
Leyva‐Parra, Luis;
Pino‐Rios, Ricardo;
Solar‐Encinas, José;
Vásquez‐Espinal, Alejandro;
Pan, Sudip;
Merino, Gabriel;
Yañez, Osvaldo;
Tiznado, William

Publication type:

Article

B7Be6B7: A Boron‐Beryllium Sandwich Complex.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 31, p. 1, doi. 10.1002/anie.202304997

By:

Dong, Xue;
Tiznado, William;
Liu, Yu‐qian;
Leyva‐Parra, Luis;
Liu, Xin‐bo;
Pan, Sudip;
Merino, Gabriel;
Cui, Zhong‐hua

Publication type:

Article

Be4B12+: A Covalently Bonded Archimedean Beryllo‐Borospherene.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 42, p. 1, doi. 10.1002/anie.202208152

By:

Dong, Xue;
Liu, Yu‐qian;
Liu, Xin‐bo;
Pan, Sudip;
Cui, Zhong‐hua;
Merino, Gabriel

Publication type:

Article

The Heaviest Bottleable Metallylone: Synthesis of a Monatomic, Zero‐Valent Lead Complex ("Plumbylone").

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 38, p. 1, doi. 10.1002/anie.202209442

By:

Xu, Jian;
Pan, Sudip;
Yao, Shenglai;
Frenking, Gernot;
Driess, Matthias

Publication type:

Article

Isolation of Stable Borepin Radicals and Anions.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 23, p. 1, doi. 10.1002/anie.202202516

By:

Hollister, Kimberly K.;
Yang, Wenlong;
Mondol, Ranajit;
Wentz, Kelsie E.;
Molino, Andrew;
Kaur, Aishvaryadeep;
Dickie, Diane A.;
Frenking, Gernot;
Pan, Sudip;
Wilson, David J. D.;
Gilliard, Robert J.

Publication type:

Article

Carbodicarbene Bismaalkene Cations: Unravelling the Complexities of Carbene versus Carbone in Heavy Pnictogen Chemistry.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 12, p. 6682, doi. 10.1002/anie.202014398

By:

Walley, Jacob E.;
Warring, Levi S.;
Wang, Guocang;
Dickie, Diane A.;
Pan, Sudip;
Frenking, Gernot;
Gilliard, Robert J.

Publication type:

Article

Generation and Characterization of the C3O2− Anion with an Unexpected Unsymmetrical Structure.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 9, p. 4518, doi. 10.1002/anie.202013921

By:

Wang, Lina;
Pan, Sudip;
Lu, Bo;
Dong, Xuelin;
Li, Hongmin;
Deng, Guohai;
Zeng, Xiaoqing;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article

Beryllium Atom Mediated Dinitrogen Activation via Coupling with Carbon Monoxide.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 41, p. 18201, doi. 10.1002/anie.202007241

By:

Deng, Guohai;
Pan, Sudip;
Wang, Guanjun;
Zhao, Lili;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article

d–d Dative Bonding Between Iron and the Alkaline‐Earth Metals Calcium, Strontium, and Barium.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 34, p. 14615, doi. 10.1002/anie.202005774

By:

Stegner, Philipp;
Färber, Christian;
Oetzel, Jan;
Siemeling, Ulrich;
Wiesinger, Michael;
Langer, Jens;
Pan, Sudip;
Holzmann, Nicole;
Frenking, Gernot;
Albold, Uta;
Sarkar, Biprajit;
Harder, Sjoerd

Publication type:

Article

Side‐On Bonded Beryllium Dinitrogen Complexes.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 26, p. 10603, doi. 10.1002/anie.202002621

By:

Deng, Guohai;
Pan, Sudip;
Wang, Guanjun;
Zhao, Lili;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article

Comment on "Realization of Lewis Basic Sodium Anion in the NaBH3− Cluster".

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 23, p. 8756, doi. 10.1002/anie.202000229

By:

Pan, Sudip;
Frenking, Gernot

Publication type:

Article

Persistent Borafluorene Radicals.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 10, p. 3850, doi. 10.1002/anie.201909627

By:

Yang, Wenlong;
Krantz, Kelsie E.;
Freeman, Lucas A.;
Dickie, Diane A.;
Molino, Andrew;
Frenking, Gernot;
Pan, Sudip;
Wilson, David J. D.;
Gilliard, Robert J.

Publication type:

Article

Transition‐Metal Chemistry of Alkaline‐Earth Elements: The Trisbenzene Complexes M(Bz)3 (M=Sr, Ba).

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 48, p. 17365, doi. 10.1002/anie.201908572

By:

Wang, Qian;
Pan, Sudip;
Wu, Yan‐Bo;
Deng, Guohai;
Bian, Jian‐Hong;
Wang, Guanjun;
Zhao, Lili;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article

Unprecedented Bonding Situation in Viable E2(NHBMe)2 (E=Be, Mg; NHBMe=(HCNMe)2B) Complexes: Neutral E2 Forms a Single E−E Covalent Bond.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 25, p. 8372, doi. 10.1002/anie.201900992

By:

Saha, Ranajit;
Pan, Sudip;
Merino, Gabriel;
Chattaraj, Pratim K.

Publication type:

Article

Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO)3−.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 6, p. 1732, doi. 10.1002/anie.201813022

By:

Chi, Chaoxian;
Pan, Sudip;
Meng, Luyan;
Luo, Mingbiao;
Zhao, Lili;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article

Li2B12 and Li3B12: Prediction of the Smallest Tubular and Cage‐like Boron Structures.

Published in:

Angewandte Chemie International Edition, 2018, v. 57, n. 17, p. 4627, doi. 10.1002/anie.201800976

By:

Dong, Xue;
Jalife, Said;
Vásquez‐espinal, Alejandro;
Ravell, Estefanía;
Pan, Sudip;
Cabellos, José Luis;
Liang, Wei‐yan;
Cui, Zhong‐hua;
Merino, Gabriel

Publication type:

Article

Coaxial Triple-Layered versus Helical Be6B11− Clusters: Dual Structural Fluxionality and Multifold Aromaticity.

Published in:

Angewandte Chemie International Edition, 2017, v. 56, n. 34, p. 10174, doi. 10.1002/anie.201703979

By:

Guo, Jin‐Chang;
Feng, Lin‐Yan;
Wang, Ying‐Jin;
Jalife, Said;
Vásquez‐Espinal, Alejandro;
Cabellos, José Luis;
Pan, Sudip;
Merino, Gabriel;
Zhai, Hua‐Jin

Publication type:

Article

Clarification of Some Bonding Concepts: Virial Theorem, Electron Pair Repulsion, and Rotational Barriers.

Published in:

Journal of Computational Chemistry, 2025, v. 46, n. 8, p. 1, doi. 10.1002/jcc.70085

By:

Schwarz, W. H. Eugen;
Frenking, Gernot;
Pan, Sudip

Publication type:

Article

Bonding situations in tricoordinated beryllium phenyl complexes.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 3, p. 397, doi. 10.1002/jcc.26950

By:

Thomas‐Hargreaves, Lewis R.;
Liu, Yu‐Qian;
Cui, Zhong‐Hua;
Pan, Sudip;
Buchner, Magnus R.

Publication type:

Article

Structure, stability, and nature of bonding in carbon monoxide bound.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 24, p. 2202, doi. 10.1002/jcc.24446

By:

Ghara, Manas;
Pan, Sudip;
Kumar, Anand;
Merino, Gabriel;
Chattaraj, Pratim K.

Publication type:

Article

Stability of Noble-Gas-Bound SiH3+ Clusters.

Published in:

ChemPhysChem, 2014, v. 15, n. 16, p. 3554, doi. 10.1002/cphc.201402370

By:

Pan, Sudip;
Moreno, Diego;
Merino, Gabriel;
Chattaraj, Pratim K.

Publication type:

Article

Ab Initio Study on the Stability of Ng nBe2N2, Ng nBe3N2 and NgBeSiN2 Clusters.

Published in:

ChemPhysChem, 2014, v. 15, n. 12, p. 2618, doi. 10.1002/cphc.201402101

By:

Pan, Sudip;
Moreno, Diego;
Cabellos, José Luis;
Merino, Gabriel;
Chattaraj, Pratim K.

Publication type:

Article

Structure and Stability of (NG) nCN3Be3+ Clusters and Comparison with (NG)BeY0/+.

Published in:

ChemPhysChem, 2013, v. 14, n. 11, p. 2511, doi. 10.1002/cphc.201300357

By:

Pan, Sudip;
Jalife, Said;
Kumar, R. Mahesh;
Subramanian, Venkatesan;
Merino, Gabriel;
Chattaraj, Pratim K.

Publication type:

Article

A diradical based on odd-electron σ-bonds.

Published in:

Nature Communications, 2020, v. 11, n. 1, p. 1, doi. 10.1038/s41467-020-17303-4

By:

Yang, Wenbang;
Zhang, Li;
Xiao, Dengmengfei;
Feng, Rui;
Wang, Wenqing;
Pan, Sudip;
Zhao, Yue;
Zhao, Lili;
Frenking, Gernot;
Wang, Xinping

Publication type:

Article

Structure and stability of noble gas bound.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 2, p. 226, doi. 10.1002/jcc.23986

By:

Pan, Sudip;
Moreno, Diego;
Ghosh, Sreyan;
Chattaraj, Pratim K.;
Merino, Gabriel

Publication type:

Article

A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au).

Published in:

Journal of Computational Chemistry, 2015, v. 36, n. 29, p. 2168, doi. 10.1002/jcc.24190

By:

Pan, Sudip;
Gupta, Ashutosh;
Saha, Ranajit;
Merino, Gabriel;
Chattaraj, Pratim K.

Publication type:

Article

A computational study on the hydrogen adsorption capacity of various lithium-Doped boron hydrides.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 4, p. 425, doi. 10.1002/jcc.21985

By:

Pan, Sudip;
Giri, Santanab;
Chattaraj, Pratim K.

Publication type:

Article

Exploring the Nature of Silicon-Noble Gas Bonds in H3SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn).

Published in:

International Journal of Molecular Sciences, 2015, v. 16, n. 3, p. 6402, doi. 10.3390/ijms16036402

By:

Pan, Sudip;
Saha, Ranajit;
Chattaraj, Pratim K.

Publication type:

Article

CO‐Induced Dinitrogen Fixation and Cleavage Mediated by Boron.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 6, p. 2131, doi. 10.1002/chem.202004357

By:

Deng, Guohai;
Pan, Sudip;
Dong, Xuelin;
Wang, Guanjun;
Zhao, Lili;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article

Generation and Identification of the Linear OCBNO and OBNCO Molecules with 24 Valence Electrons.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 1, p. 412, doi. 10.1002/chem.202003886

By:

Deng, Guohai;
Pan, Sudip;
Jin, Jiaye;
Wang, Guanjun;
Zhao, Lili;
Zhou, Mingfei;
Frenking, Gernot

Publication type:

Article